KW 3902, Tocris Bioscience™

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CAS: 136199-02-5 Molecular Formula: C20H28N4O2 Molecular Weight (g/mol): 356.47 InChI Key: PJBFVWGQFLYWCB-UHFFFAOYSA-N Synonym: rolofylline,1,3-dnax,1,3-dipropyl-8-3-noradamantyl xanthine,rolofylline usan,8-3-noradamantyl-1,3-dipropylxanthine,chembl52333,8-hexahydro-2,5-methanopentalen-3a 1h-yl-3,7-dihydro-1,3-dipropyl-1h-purine-2,6-dione,8-noradamantan-3-yl-1,3-dipropylxanthine,8-hexahydro-2,5-methanopentalen-3a 1h-yl-1,3-dipropyl-3,7-dihydro-1h-purine-2,6-dione,d0x0iy PubChem CID: 64627 SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CC5CC(C3)CC4C5

XCC, Tocris Bioscience™

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CAS: 96865-83-7 Molecular Formula: C19H22N4O5 Molecular Weight (g/mol): 386.408 InChI Key: QTMMGCYGCFXBFI-UHFFFAOYSA-N Synonym: chembl27041,xcc,4-2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1h-purin-8-yl phenoxy acetic acid,2-4-2,6-dioxo-1,3-dipropyl-7h-purin-8-yl phenoxy acetic acid,d04dvt,gtpl451,1,3-dipropyl-8-4-carboxymethyloxy phenylxanthine,8-4-carboxymethyloxy phenyl-1,3-dipropylxanthine,1,3-dipropyl-8-4-carboxymethoxy phenyl xanthine,8-4'-carboxymethyloxyphenyl-1,3-dipropyl xanthine PubChem CID: 126079 IUPAC Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetic acid SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)O

PSB 0788, Tocris Bioscience™

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CAS: 1027513-54-7 Molecular Formula: C25H27ClN6O4S Molecular Weight (g/mol): 543.039 InChI Key: JQZJACVYMPKVDS-UHFFFAOYSA-N Synonym: d05xgf,8-4-4-4-chlorobenzyl piperazine-1-sulfonyl phenyl-1-propylxanthine,8-4-4-4-chlorobenzyl piperazide-1-sulfonyl phenyl-1-propylxanthine,8-4-4-4-chlorobenzyl piperazin-1-ylsulfonyl phenyl-1-propyl-1h-purine-2,6 3h,7h-dione,8-4-4-4-chlorophenyl methyl piperazine-1-sulfonyl phenyl-1-propyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione PubChem CID: 44186581 IUPAC Name: 8-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione SMILES: CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=C(C=C5)Cl

HC 030031, Tocris Bioscience™

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CAS: 349085-38-7 Molecular Formula: C18H21N5O3 Molecular Weight (g/mol): 355.398 InChI Key: HEQDZPHDVAOBLN-UHFFFAOYSA-N Synonym: 2-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl-n-4-isopropylphenyl acetamide,2-1,3-dimethyl-2,6-dioxopurin-7-yl-n-4-propan-2-ylphenyl acetamide,2-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1h-purin-7 6h-yl-n-4-isopropylphenyl acetamide,2-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-yl-n-4-isopropylphenyl acetamide,2-1,3-dimethyl-2,6-dioxopurin-7-yl-n-4-isopropylphenyl acetamide,2-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl-n-4-propan-2-yl phenyl acetamide,d0d6mc,hc hplc , powder,2-1,3-dimethyl-2,6-dioxo 1,3,7-trihydropurin-7-yl-n-4-methylethyl phenyl acetamide,trpa1 inhibitor pain/inflammation , hydra biosciences/cubist pharmaceuticals PubChem CID: 1150897 IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide SMILES: CC(C)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Caffeine, Tocris Bioscience™

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CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

EHNA hydrochloride, Tocris Bioscience™

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CAS: 81408-49-3 Molecular Formula: C14H24ClN5O Molecular Weight (g/mol): 313.83 InChI Key: VVDXNJRUNJMYOZ-DHXVBOOMSA-N Synonym: ehna hydrochloride,erythro-9-2-hydroxy-3-nonyl adenine hydrochloride,ehna, hydrochloride,2r,3s-ehna.hcl,erythro-9-2-hydroxy-3-nonyl adenine, hcl,ehna,2r,3s-3-adenin-9-yl-2-nonanol hydrochloride,rac erythro-9-2-hydroxy-3-nonyl adenine, hydrochloride,erythro-9-2-hydroxy-3-nonyl-adenine hydrochloride,rac erythro-9-2-hydroxy-3-nonyl adenine hydrochloride PubChem CID: 11957547 ChEBI: CHEBI:64139 IUPAC Name: (2R,3S)-3-(6-aminopurin-9-yl)nonan-2-ol;hydrochloride SMILES: CCCCCCC(C(C)O)N1C=NC2=C1N=CN=C2N.Cl

Adenine, Synthetic, Spectrum™ Chemical

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CAS: 73-24-5

Dimenhydrinate, USP, 53-55.5%, Spectrum™ Chemical

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Thermo Scientific Chemicals 2',3'-O-Isopropylideneadenosine, 98%

CAS: 362-75-4 Molecular Formula: C13H17N5O4 Molecular Weight (g/mol): 307.31 MDL Number: MFCD00005756 InChI Key: LCCLUOXEZAHUNS-AUWRGFAENA-N Synonym: 2',3'-o-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,2',3'-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol,2 ,3-o-isopropylideneadenosine,1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol,3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol,3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,pubchem14185 PubChem CID: 2723654 IUPAC Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol SMILES: CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C(N)N=CN=C12

Theophylline-7-acetic acid, 98%, Thermo Scientific Chemicals

CAS: 652-37-9 Molecular Formula: C9H9N4NaO4 Molecular Weight (g/mol): 260.19 MDL Number: MFCD00022832 InChI Key: MSFVZSOKOXZSME-UHFFFAOYSA-M Synonym: acefylline,theophylline-7-acetic acid,acephylline,theophyllineacetic acid,carboxymethyltheophylline,7-carboxymethyl theophylline,7-theophyllinylacetic acid,theophyllin-7-ylacetic acid,7-theophyllinessigsaeure,7-theophyllineacetic acid PubChem CID: 69550 IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid SMILES: [Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O

Adenine Sulfate, MP Biomedicals

CAS: 321-30-2 Molecular Formula: C10H12N10O4S Molecular Weight (g/mol): 368.33 MDL Number: MFCD00213655 InChI Key: LQXHSCOPYJCOMD-UHFFFAOYSA-N Synonym: adenine sulfate,adenine hemisulfate,7h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m PubChem CID: 9449 IUPAC Name: bis(7H-purin-6-amine); sulfuric acid SMILES: OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1

1-Methylxanthine 97.0+%, TCI America™

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CAS: 6136-37-4 Molecular Formula: C6H6N4O2 Molecular Weight (g/mol): 166.14 MDL Number: MFCD00005561 InChI Key: MVOYJPOZRLFTCP-UHFFFAOYSA-N PubChem CID: 80220 ChEBI: CHEBI:68444 IUPAC Name: 1-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C(=O)NC2=C(NC=N2)C1=O

Adenine Hemisulfate Dihydrate, ≥99%, MP Biomedicals™

CAS: 6509-19-9 Molecular Formula: C10H16N10O6S Molecular Weight (g/mol): 404.36 MDL Number: MFCD00150149 InChI Key: MKPCNMXYTMQZBE-UHFFFAOYSA-N Synonym: 9h-purin-6-amine hemisulfate dihydrate,adenine hemisulfate dihydrate,6-aminopurine sulfate dihydrate,bis ade sulfuric acid dihydrate,sulfuric acid bis vitamin b4 dihydrate,bis adenine sulfuric acid dihydrate,sulfuric acid-7h-purin-6-amine-water 1/2/2 PubChem CID: 44134512 IUPAC Name: bis(7H-purin-6-amine) sulfuric acid dihydrate SMILES: O.O.OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1

Caffeine monohydrate, MP Biomedicals™

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

Dimenhydrinate, MP Biomedicals™

CAS: 523-87-5 Molecular Formula: C24H28ClN5O3 Molecular Weight (g/mol): 469.97 InChI Key: NFLLKCVHYJRNRH-UHFFFAOYSA-N Synonym: dimenhydrinate,dramamine,vomex a,chloranautine,diphenhydrinate,anautine,travelin,amosyt,aviomarin,gravol PubChem CID: 10660 IUPAC Name: 2-benzhydryloxy-N,N-dimethylethanamine;8-chloro-1,3-dimethyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2