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Organoheterocyclic compounds

Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).
Pyridines and derivatives (75)
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1 – 15 of 192 results
1

Thermo Scientific Chemicals Atorvastatin calcium trihydrate

CAS: 344423-98-9 Molecular Formula: C66H74CaF2N4O13 Molecular Weight (g/mol): 1209.41 InChI Key: SHZPNDRIDUBNMH-NIJVSVLQSA-L IUPAC Name: calcium bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate) trihydrate SMILES: O.O.O.[Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1

CAS 344423-98-9
Molecular Weight (g/mol) 1209.41
SMILES O.O.O.[Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1
IUPAC Name calcium bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate) trihydrate
InChI Key SHZPNDRIDUBNMH-NIJVSVLQSA-L
Molecular Formula C66H74CaF2N4O13
2

Atorvastatin Calcium Salt Trihydrate 98.0+%, TCI America™

CAS: 344423-98-9 Molecular Formula: C66H74CaF2N4O13 Molecular Weight (g/mol): 1209.408 MDL Number: MFCD09752074 InChI Key: SHZPNDRIDUBNMH-NIJVSVLQSA-L PubChem CID: 656846 ChEBI: CHEBI:2911 IUPAC Name: calcium;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate;trihydrate SMILES: CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.O.O.O.[Ca+2]

PubChem CID 656846
CAS 344423-98-9
Molecular Weight (g/mol) 1209.408
ChEBI CHEBI:2911
MDL Number MFCD09752074
SMILES CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.O.O.O.[Ca+2]
IUPAC Name calcium;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate;trihydrate
InChI Key SHZPNDRIDUBNMH-NIJVSVLQSA-L
Molecular Formula C66H74CaF2N4O13
3

(+)-cis-Diltiazem hydrochloride, Thermo Scientific Chemicals

CAS: 33286-22-5 Molecular Formula: C22H27ClN2O4S Molecular Weight (g/mol): 450.978 MDL Number: MFCD00069252 InChI Key: HDRXZJPWHTXQRI-BHDTVMLSSA-N Synonym: diltiazem hydrochloride,diltiazem hcl,herbesser,dilzene,lacerol,masdil,tildiem,tiazac,mono-tildiem,bi-tildiem PubChem CID: 62920 ChEBI: CHEBI:645509 IUPAC Name: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride SMILES: CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl

PubChem CID 62920
CAS 33286-22-5
Molecular Weight (g/mol) 450.978
ChEBI CHEBI:645509
MDL Number MFCD00069252
SMILES CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl
Synonym diltiazem hydrochloride,diltiazem hcl,herbesser,dilzene,lacerol,masdil,tildiem,tiazac,mono-tildiem,bi-tildiem
IUPAC Name [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride
InChI Key HDRXZJPWHTXQRI-BHDTVMLSSA-N
Molecular Formula C22H27ClN2O4S
4

A23187, free acid, Tocris Bioscience™

CAS: 52665-69-7 Molecular Formula: C29H37N3O6 Molecular Weight (g/mol): 523.63 MDL Number: MFCD00151202,MFCD00151202 InChI Key: HIYAVKIYRIFSCZ-CVXKHCKVSA-N Synonym: calcimycin,antibiotic a23187,ionophore a23187,calcium ionophore a23187,4-benzoxazolecarboxylic acid, 5-methylamino-2-3,9,11-trimethyl-8-1-methyl-2-oxo-2-1h-pyrrol-2-yl ethyl-1,7-dioxaspiro 5.5 undec-2-yl methyl-, 6s-6alpha 2s*,3s* ,8beta r* ,9beta,11alpha,spectrum_001976,upcmld-dp093,upcmld-dp093:001,upcmld-dp093:002,upcmld-dp093:003 PubChem CID: 97043288 IUPAC Name: 5-(methylamino)-2-{[(2S,3S,8S,9R,11R)-3,9,11-trimethyl-8-[1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-2-yl]methyl}-1,3-benzoxazole-4-carboxylic acid SMILES: CNC1=CC=C2OC(C[C@@H]3OC4(CC[C@@H]3C)O[C@H](C(C)C(=O)C3=CC=CN3)[C@H](C)C[C@H]4C)=NC2=C1C(O)=O

PubChem CID 97043288
CAS 52665-69-7
Molecular Weight (g/mol) 523.63
MDL Number MFCD00151202,MFCD00151202
SMILES CNC1=CC=C2OC(C[C@@H]3OC4(CC[C@@H]3C)O[C@H](C(C)C(=O)C3=CC=CN3)[C@H](C)C[C@H]4C)=NC2=C1C(O)=O
Synonym calcimycin,antibiotic a23187,ionophore a23187,calcium ionophore a23187,4-benzoxazolecarboxylic acid, 5-methylamino-2-3,9,11-trimethyl-8-1-methyl-2-oxo-2-1h-pyrrol-2-yl ethyl-1,7-dioxaspiro 5.5 undec-2-yl methyl-, 6s-6alpha 2s*,3s* ,8beta r* ,9beta,11alpha,spectrum_001976,upcmld-dp093,upcmld-dp093:001,upcmld-dp093:002,upcmld-dp093:003
IUPAC Name 5-(methylamino)-2-{[(2S,3S,8S,9R,11R)-3,9,11-trimethyl-8-[1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-2-yl]methyl}-1,3-benzoxazole-4-carboxylic acid
InChI Key HIYAVKIYRIFSCZ-CVXKHCKVSA-N
Molecular Formula C29H37N3O6
5

CaCCinh-A01, Tocris Bioscience™

CAS: 407587-33-1 Molecular Formula: C18H21NO4S Molecular Weight (g/mol): 347.429 InChI Key: ACLUEOBQFRYTQS-UHFFFAOYSA-N Synonym: caccinh-a01,cacc inh-a01,6-1,1-dimethylethyl-2-2-furanylcarbonyl amino-4,5,6,7-tetrahydrobenzo b thiophene-3-carboxylic acid,6-tert-butyl-2-furan-2-amido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid,tmem16 blocker i,6-tert-butyl-2-2-furylcarbonyl amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid,6-tert-butyl-2-furan-2-carbonylamino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid PubChem CID: 2898877 IUPAC Name: 6-tert-butyl-2-(furan-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid SMILES: CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC=CO3

PubChem CID 2898877
CAS 407587-33-1
Molecular Weight (g/mol) 347.429
SMILES CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC=CO3
Synonym caccinh-a01,cacc inh-a01,6-1,1-dimethylethyl-2-2-furanylcarbonyl amino-4,5,6,7-tetrahydrobenzo b thiophene-3-carboxylic acid,6-tert-butyl-2-furan-2-amido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid,tmem16 blocker i,6-tert-butyl-2-2-furylcarbonyl amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid,6-tert-butyl-2-furan-2-carbonylamino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
IUPAC Name 6-tert-butyl-2-(furan-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
InChI Key ACLUEOBQFRYTQS-UHFFFAOYSA-N
Molecular Formula C18H21NO4S
6

Diltiazem hydrochloride, Tocris Bioscience™

CAS: 33286-22-5 Molecular Formula: C22H27ClN2O4S Molecular Weight (g/mol): 450.978 InChI Key: HDRXZJPWHTXQRI-BHDTVMLSSA-N Synonym: diltiazem hydrochloride,diltiazem hcl,herbesser,dilzene,lacerol,masdil,tildiem,tiazac,mono-tildiem,bi-tildiem PubChem CID: 62920 ChEBI: CHEBI:645509 IUPAC Name: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride SMILES: CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl

PubChem CID 62920
CAS 33286-22-5
Molecular Weight (g/mol) 450.978
ChEBI CHEBI:645509
SMILES CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl
Synonym diltiazem hydrochloride,diltiazem hcl,herbesser,dilzene,lacerol,masdil,tildiem,tiazac,mono-tildiem,bi-tildiem
IUPAC Name [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride
InChI Key HDRXZJPWHTXQRI-BHDTVMLSSA-N
Molecular Formula C22H27ClN2O4S
7

trans-Ned 19, Tocris Bioscience™

CAS: 1354235-96-3 Molecular Formula: C30H31FN4O3 Molecular Weight (g/mol): 514.601 InChI Key: FUHCEERDBRGPQZ-LBNVMWSVSA-N Synonym: trans-ned 19,ned-19,trans-ned-19,1r,3s-1-3-4-2-fluorophenyl piperazin-1-yl methyl-4-methoxyphenyl-2,3,4,9-tetrahydro-1h-pyrido 3,4-b indole-3-carboxylic acid,naadp antagonist,nicotinic acid adenine dinucleotide phosphate antagonist,1r,3s-1-3-4-2-fluorophenyl piperazin-1-yl methyl-4-methoxyphenyl-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid PubChem CID: 1427628 IUPAC Name: (1R,3S)-1-[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid SMILES: COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)CN5CCN(CC5)C6=CC=CC=C6F

PubChem CID 1427628
CAS 1354235-96-3
Molecular Weight (g/mol) 514.601
SMILES COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)CN5CCN(CC5)C6=CC=CC=C6F
Synonym trans-ned 19,ned-19,trans-ned-19,1r,3s-1-3-4-2-fluorophenyl piperazin-1-yl methyl-4-methoxyphenyl-2,3,4,9-tetrahydro-1h-pyrido 3,4-b indole-3-carboxylic acid,naadp antagonist,nicotinic acid adenine dinucleotide phosphate antagonist,1r,3s-1-3-4-2-fluorophenyl piperazin-1-yl methyl-4-methoxyphenyl-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid
IUPAC Name (1R,3S)-1-[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
InChI Key FUHCEERDBRGPQZ-LBNVMWSVSA-N
Molecular Formula C30H31FN4O3
8

Isradipine, Tocris Bioscience™

CAS: 75695-93-1 Molecular Formula: C19H21N3O5 Molecular Weight (g/mol): 371.39 MDL Number: MFCD00153820 InChI Key: HMJIYCCIJYRONP-UHFFFAOYNA-N Synonym: isradipine,dynacirc,isradipin,lomir,isrodipine,prescal,dynacirc cr,esradin,clivoten,dynacrine PubChem CID: 3784 IUPAC Name: 3-methyl 5-propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate SMILES: COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C

PubChem CID 3784
CAS 75695-93-1
Molecular Weight (g/mol) 371.39
MDL Number MFCD00153820
SMILES COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C
Synonym isradipine,dynacirc,isradipin,lomir,isrodipine,prescal,dynacirc cr,esradin,clivoten,dynacrine
IUPAC Name 3-methyl 5-propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
InChI Key HMJIYCCIJYRONP-UHFFFAOYNA-N
Molecular Formula C19H21N3O5
9

Eact, Tocris Bioscience™

CAS: 461000-66-8 Molecular Formula: C22H24N2O5S Molecular Weight (g/mol): 428.503 InChI Key: ZUXNHFFVQWADJL-UHFFFAOYSA-N Synonym: eact,3,4,5-trimethoxy-n-2-methoxyethyl-n-4-phenyl-1,3-thiazol-2-yl benzamide,eact hplc,3,4,5-trimethoxy-n-2-methoxy-ethyl-n-4-phenyl-thiazol-2-yl-benzamide,3,4,5-trimethoxy-n-2-methoxyethyl-n-4-phenyl-2-thiazolyl benzamide,3,4,5-trimethoxy-n-2-methoxyethyl-n-4-phenylthiazol-2-yl benzamide,n-4-phenylthiazole-2-yl-n-2-methoxyethyl-3,4,5-trimethoxybenzamide PubChem CID: 3173542 IUPAC Name: 3,4,5-trimethoxy-N-(2-methoxyethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide SMILES: COCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

PubChem CID 3173542
CAS 461000-66-8
Molecular Weight (g/mol) 428.503
SMILES COCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
Synonym eact,3,4,5-trimethoxy-n-2-methoxyethyl-n-4-phenyl-1,3-thiazol-2-yl benzamide,eact hplc,3,4,5-trimethoxy-n-2-methoxy-ethyl-n-4-phenyl-thiazol-2-yl-benzamide,3,4,5-trimethoxy-n-2-methoxyethyl-n-4-phenyl-2-thiazolyl benzamide,3,4,5-trimethoxy-n-2-methoxyethyl-n-4-phenylthiazol-2-yl benzamide,n-4-phenylthiazole-2-yl-n-2-methoxyethyl-3,4,5-trimethoxybenzamide
IUPAC Name 3,4,5-trimethoxy-N-(2-methoxyethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
InChI Key ZUXNHFFVQWADJL-UHFFFAOYSA-N
Molecular Formula C22H24N2O5S
10

Cyclopiazonic acid, Tocris Bioscience™

CAS: 18172-33-3 Molecular Formula: C20H20N2O3 Molecular Weight (g/mol): 336.391 InChI Key: SZINUGQCTHLQAZ-AFAVFJNCSA-N Synonym: cyclopiazonic acid,alpha-cyclopiazonic acid,unii-x9tly4580z,ccris 4942,alpha-cyclopiazonate,cyclopyazonic acid,6ar,10z,11as,11br-10-1-hydroxyethylidene-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indole-9,11 2h,10h-dione,9h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-9-one, 2,6,6a,7,11a,11b-hexahydro-10-acetyl-7,7-dimethyl-11-hydroxy-, 6a-alpha,11a,11b-alpha,6ar,11as,11br-10-acetyl-9-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-11h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-11-one,ambotzls-1020 PubChem CID: 54711281 SMILES: CC(=O)C1=C(C2C3C(CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O

PubChem CID 54711281
CAS 18172-33-3
Molecular Weight (g/mol) 336.391
SMILES CC(=O)C1=C(C2C3C(CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O
Synonym cyclopiazonic acid,alpha-cyclopiazonic acid,unii-x9tly4580z,ccris 4942,alpha-cyclopiazonate,cyclopyazonic acid,6ar,10z,11as,11br-10-1-hydroxyethylidene-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indole-9,11 2h,10h-dione,9h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-9-one, 2,6,6a,7,11a,11b-hexahydro-10-acetyl-7,7-dimethyl-11-hydroxy-, 6a-alpha,11a,11b-alpha,6ar,11as,11br-10-acetyl-9-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-11h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-11-one,ambotzls-1020
InChI Key SZINUGQCTHLQAZ-AFAVFJNCSA-N
Molecular Formula C20H20N2O3
11

Isradipine, 98+%, Thermo Scientific Chemicals

CAS: 75695-93-1 Molecular Formula: C19H21N3O5 Molecular Weight (g/mol): 371.39 MDL Number: MFCD00153820 InChI Key: HMJIYCCIJYRONP-UHFFFAOYNA-N Synonym: isradipine,dynacirc,isradipin,lomir,isrodipine,prescal,dynacirc cr,esradin,clivoten,dynacrine PubChem CID: 3784 IUPAC Name: 3-methyl 5-propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate SMILES: COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C

PubChem CID 3784
CAS 75695-93-1
Molecular Weight (g/mol) 371.39
MDL Number MFCD00153820
SMILES COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C
Synonym isradipine,dynacirc,isradipin,lomir,isrodipine,prescal,dynacirc cr,esradin,clivoten,dynacrine
IUPAC Name 3-methyl 5-propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
InChI Key HMJIYCCIJYRONP-UHFFFAOYNA-N
Molecular Formula C19H21N3O5
12

Paxilline, Tocris Bioscience™

CAS: 57186-25-1 Molecular Formula: C27H33NO4 Molecular Weight (g/mol): 435.564 InChI Key: ACNHBCIZLNNLRS-UBGQALKQSA-N Synonym: paxilline,unii-3t9u9z96l7,2h-1-benzopyrano 5',6':6,7 indeno 1,2-b indol-3 4bh-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-, 2-alpha,4b-beta,6a-alpha,12b-beta,12c-alpha,14a-beta,2h-pyrano 2,3:5',6' benz 1',2':6,7 indeno 1,2-b indol-3 4bh-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-, 2r,4bs,6as,12bs,12cr,14as,spectrum5_001975,paxilline, powder hplc,paxilline solution, 100 mug/ml in acetonitrile, analytical standard,2r,4bs,6as,12bs,12cr,14as-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-2h-pyrano 2,3:5',6' benz 1',2':6,7 indeno 1,2-b indol-3 4bh-one,ncgc00025342-07_c27h33no4_ 2r,4bs,6as,12bs,12cr,14as-4b-hydroxy-2-2-hydroxy-2-propanyl-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2h-chromeno 5',6':6,7 indeno 1,2-b indol-3 4bh-one PubChem CID: 105008 ChEBI: CHEBI:34907 SMILES: CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1(CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C)O

PubChem CID 105008
CAS 57186-25-1
Molecular Weight (g/mol) 435.564
ChEBI CHEBI:34907
SMILES CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1(CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C)O
Synonym paxilline,unii-3t9u9z96l7,2h-1-benzopyrano 5',6':6,7 indeno 1,2-b indol-3 4bh-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-, 2-alpha,4b-beta,6a-alpha,12b-beta,12c-alpha,14a-beta,2h-pyrano 2,3:5',6' benz 1',2':6,7 indeno 1,2-b indol-3 4bh-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-, 2r,4bs,6as,12bs,12cr,14as,spectrum5_001975,paxilline, powder hplc,paxilline solution, 100 mug/ml in acetonitrile, analytical standard,2r,4bs,6as,12bs,12cr,14as-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-2h-pyrano 2,3:5',6' benz 1',2':6,7 indeno 1,2-b indol-3 4bh-one,ncgc00025342-07_c27h33no4_ 2r,4bs,6as,12bs,12cr,14as-4b-hydroxy-2-2-hydroxy-2-propanyl-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2h-chromeno 5',6':6,7 indeno 1,2-b indol-3 4bh-one
InChI Key ACNHBCIZLNNLRS-UBGQALKQSA-N
Molecular Formula C27H33NO4
13

Cyclopiazonic acid, 98%, Thermo Scientific Chemicals

CAS: 18172-33-3 Molecular Formula: C20H20N2O3 Molecular Weight (g/mol): 336.391 MDL Number: MFCD00167445 InChI Key: SZINUGQCTHLQAZ-AFAVFJNCSA-N Synonym: cyclopiazonic acid,alpha-cyclopiazonic acid,unii-x9tly4580z,ccris 4942,alpha-cyclopiazonate,cyclopyazonic acid,6ar,10z,11as,11br-10-1-hydroxyethylidene-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indole-9,11 2h,10h-dione,9h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-9-one, 2,6,6a,7,11a,11b-hexahydro-10-acetyl-7,7-dimethyl-11-hydroxy-, 6a-alpha,11a,11b-alpha,6ar,11as,11br-10-acetyl-9-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-11h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-11-one,ambotzls-1020 PubChem CID: 54711281 SMILES: CC(=O)C1=C(C2C3C(CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O

PubChem CID 54711281
CAS 18172-33-3
Molecular Weight (g/mol) 336.391
MDL Number MFCD00167445
SMILES CC(=O)C1=C(C2C3C(CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O
Synonym cyclopiazonic acid,alpha-cyclopiazonic acid,unii-x9tly4580z,ccris 4942,alpha-cyclopiazonate,cyclopyazonic acid,6ar,10z,11as,11br-10-1-hydroxyethylidene-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indole-9,11 2h,10h-dione,9h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-9-one, 2,6,6a,7,11a,11b-hexahydro-10-acetyl-7,7-dimethyl-11-hydroxy-, 6a-alpha,11a,11b-alpha,6ar,11as,11br-10-acetyl-9-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-11h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-11-one,ambotzls-1020
InChI Key SZINUGQCTHLQAZ-AFAVFJNCSA-N
Molecular Formula C20H20N2O3
14

Bepridil hydrochloride, Tocris Bioscience™

CAS: 68099-86-5 Molecular Formula: C24H35ClN2O Molecular Weight (g/mol): 403.007 InChI Key: JXBBWYGMTNAYNM-UHFFFAOYSA-N Synonym: bepridil hydrochloride,cordium,bepridil hcl,1-isobutoxy-2-pyrrolidino-3-n-benzylanilino propane hydrochloride,1-pyrrolidineethanamine, beta-2-methylpropoxy methyl-n-phenyl-n-phenylmethyl-, monohydrochloride,bepridil monohydrochloride,n-benzyl-n-3-isobutoxy-2-pyrrolidin-1-yl-propyl aniline hydrochloride,n-benzyl-beta-2-methylpropoxy methyl-n-phenylpyrrolidine-1-ethylamine monohydrochloride,prestwick_697,opera_id_594 PubChem CID: 50088 ChEBI: CHEBI:52712 IUPAC Name: N-benzyl-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline;hydrochloride SMILES: CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3.Cl

PubChem CID 50088
CAS 68099-86-5
Molecular Weight (g/mol) 403.007
ChEBI CHEBI:52712
SMILES CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3.Cl
Synonym bepridil hydrochloride,cordium,bepridil hcl,1-isobutoxy-2-pyrrolidino-3-n-benzylanilino propane hydrochloride,1-pyrrolidineethanamine, beta-2-methylpropoxy methyl-n-phenyl-n-phenylmethyl-, monohydrochloride,bepridil monohydrochloride,n-benzyl-n-3-isobutoxy-2-pyrrolidin-1-yl-propyl aniline hydrochloride,n-benzyl-beta-2-methylpropoxy methyl-n-phenylpyrrolidine-1-ethylamine monohydrochloride,prestwick_697,opera_id_594
IUPAC Name N-benzyl-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline;hydrochloride
InChI Key JXBBWYGMTNAYNM-UHFFFAOYSA-N
Molecular Formula C24H35ClN2O
15

Paxilline, 97+%, Thermo Scientific Chemicals

CAS: 57186-25-1 Molecular Formula: C27H33NO4 Molecular Weight (g/mol): 435.564 MDL Number: MFCD00083464 InChI Key: ACNHBCIZLNNLRS-UBGQALKQSA-N Synonym: paxilline,unii-3t9u9z96l7,2h-1-benzopyrano 5',6':6,7 indeno 1,2-b indol-3 4bh-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-, 2-alpha,4b-beta,6a-alpha,12b-beta,12c-alpha,14a-beta,2h-pyrano 2,3:5',6' benz 1',2':6,7 indeno 1,2-b indol-3 4bh-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-, 2r,4bs,6as,12bs,12cr,14as,spectrum5_001975,paxilline, powder hplc,paxilline solution, 100 mug/ml in acetonitrile, analytical standard,2r,4bs,6as,12bs,12cr,14as-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-2h-pyrano 2,3:5',6' benz 1',2':6,7 indeno 1,2-b indol-3 4bh-one,ncgc00025342-07_c27h33no4_ 2r,4bs,6as,12bs,12cr,14as-4b-hydroxy-2-2-hydroxy-2-propanyl-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2h-chromeno 5',6':6,7 indeno 1,2-b indol-3 4bh-one PubChem CID: 105008 ChEBI: CHEBI:34907 SMILES: CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1(CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C)O

PubChem CID 105008
CAS 57186-25-1
Molecular Weight (g/mol) 435.564
ChEBI CHEBI:34907
MDL Number MFCD00083464
SMILES CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1(CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C)O
Synonym paxilline,unii-3t9u9z96l7,2h-1-benzopyrano 5',6':6,7 indeno 1,2-b indol-3 4bh-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-, 2-alpha,4b-beta,6a-alpha,12b-beta,12c-alpha,14a-beta,2h-pyrano 2,3:5',6' benz 1',2':6,7 indeno 1,2-b indol-3 4bh-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-, 2r,4bs,6as,12bs,12cr,14as,spectrum5_001975,paxilline, powder hplc,paxilline solution, 100 mug/ml in acetonitrile, analytical standard,2r,4bs,6as,12bs,12cr,14as-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-2h-pyrano 2,3:5',6' benz 1',2':6,7 indeno 1,2-b indol-3 4bh-one,ncgc00025342-07_c27h33no4_ 2r,4bs,6as,12bs,12cr,14as-4b-hydroxy-2-2-hydroxy-2-propanyl-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2h-chromeno 5',6':6,7 indeno 1,2-b indol-3 4bh-one
InChI Key ACNHBCIZLNNLRS-UBGQALKQSA-N
Molecular Formula C27H33NO4