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Unclassified Organic Compounds

Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.
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1 – 15 of 202 results
1

Pitavastatin calcium, Tocris Bioscience™
GREENER_CHOICE

CAS: 147526-32-7 Molecular Formula: C50H46CaF2N2O8 Molecular Weight (g/mol): 881.00 MDL Number: MFCD01937979 InChI Key: RHGYHLPFVJEAOC-FFNUKLMVSA-L Synonym: pitavastatin calcium PubChem CID: 131673901 IUPAC Name: calcium bis((3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate) SMILES: [Ca++].O[C@H](C[C@H](O)\C=C\C1=C(N=C2C=CC=CC2=C1C1=CC=C(F)C=C1)C1CC1)CC([O-])=O.O[C@H](C[C@H](O)\C=C\C1=C(N=C2C=CC=CC2=C1C1=CC=C(F)C=C1)C1CC1)CC([O-])=O

PubChem CID 131673901
CAS 147526-32-7
Molecular Weight (g/mol) 881.00
MDL Number MFCD01937979
SMILES [Ca++].O[C@H](C[C@H](O)\C=C\C1=C(N=C2C=CC=CC2=C1C1=CC=C(F)C=C1)C1CC1)CC([O-])=O.O[C@H](C[C@H](O)\C=C\C1=C(N=C2C=CC=CC2=C1C1=CC=C(F)C=C1)C1CC1)CC([O-])=O
Synonym pitavastatin calcium
IUPAC Name calcium bis((3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate)
InChI Key RHGYHLPFVJEAOC-FFNUKLMVSA-L
Molecular Formula C50H46CaF2N2O8
2

Calcium Phosphate Dibasic, MP Biomedicals™

CAS: 7757-93-9 Molecular Formula: CaHO4P Molecular Weight (g/mol): 136.06 MDL Number: MFCD00010909 InChI Key: FUFJGUQYACFECW-UHFFFAOYSA-L Synonym: Calcium dihydrogenphosphate,Acid calcium phosphate,Calcium biphosphate,Monocalcium orthophosphate IUPAC Name: calcium hydrogen phosphate SMILES: [Ca++].OP([O-])([O-])=O

CAS 7757-93-9
Molecular Weight (g/mol) 136.06
MDL Number MFCD00010909
SMILES [Ca++].OP([O-])([O-])=O
Synonym Calcium dihydrogenphosphate,Acid calcium phosphate,Calcium biphosphate,Monocalcium orthophosphate
IUPAC Name calcium hydrogen phosphate
InChI Key FUFJGUQYACFECW-UHFFFAOYSA-L
Molecular Formula CaHO4P
3

Rosuvastatin, calcium salt, 98%, Thermo Scientific Chemicals

CAS: 147098-20-2 Molecular Formula: C22H28FN3O6S·1/2Ca Molecular Weight (g/mol): 500.58 InChI Key: LQFSLFAVBQEFBH-LSMDDVBQSA-N Synonym: 3s,5r-rosuvastatin calcium salt, ent-rosuvastatin PubChem CID: 131673834 IUPAC Name: calcium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid;molecular hydrogen SMILES: [HH].[HH].CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Ca]

PubChem CID 131673834
CAS 147098-20-2
Molecular Weight (g/mol) 500.58
SMILES [HH].[HH].CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Ca]
Synonym 3s,5r-rosuvastatin calcium salt, ent-rosuvastatin
IUPAC Name calcium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid;molecular hydrogen
InChI Key LQFSLFAVBQEFBH-LSMDDVBQSA-N
Molecular Formula C22H28FN3O6S·1/2Ca
4

Calcium Thioglycolate Trihydrate 94.0+%, TCI America™
SDP

CAS: 5793-98-6 Molecular Formula: C4H14CaO7S2 Molecular Weight (g/mol): 278.347 MDL Number: MFCD00043437 InChI Key: YKVKKJPPSKLAFH-UHFFFAOYSA-N Synonym: calciumthioglycolatetrihydrate PubChem CID: 131881455 IUPAC Name: calcium;2-sulfanylacetic acid;trihydrate SMILES: C(C(=O)O)S.C(C(=O)O)S.O.O.O.[Ca]

PubChem CID 131881455
CAS 5793-98-6
Molecular Weight (g/mol) 278.347
MDL Number MFCD00043437
SMILES C(C(=O)O)S.C(C(=O)O)S.O.O.O.[Ca]
Synonym calciumthioglycolatetrihydrate
IUPAC Name calcium;2-sulfanylacetic acid;trihydrate
InChI Key YKVKKJPPSKLAFH-UHFFFAOYSA-N
Molecular Formula C4H14CaO7S2
5

Calcium acetate hydrate, 99%, Thermo Scientific Chemicals

CAS: 114460-21-8 Molecular Formula: C4H6CaO4 Molecular Weight (g/mol): 158.17 MDL Number: MFCD00012448 InChI Key: VSGNNIFQASZAOI-UHFFFAOYSA-L IUPAC Name: calcium diacetate SMILES: [Ca++].CC([O-])=O.CC([O-])=O

CAS 114460-21-8
Molecular Weight (g/mol) 158.17
MDL Number MFCD00012448
SMILES [Ca++].CC([O-])=O.CC([O-])=O
IUPAC Name calcium diacetate
InChI Key VSGNNIFQASZAOI-UHFFFAOYSA-L
Molecular Formula C4H6CaO4
6

Calcium thioglycolate trihydrate, 99%, Thermo Scientific Chemicals

CAS: 5793-98-6 Molecular Formula: C2H10CaO5S Molecular Weight (g/mol): 186.24 MDL Number: MFCD00150707 InChI Key: GDECCIJZCWLFSB-UHFFFAOYSA-N Synonym: calciumthioglycolatetrihydrate PubChem CID: 131881455 SMILES: O.O.O.[Ca].OC(=O)CS

PubChem CID 131881455
CAS 5793-98-6
Molecular Weight (g/mol) 186.24
MDL Number MFCD00150707
SMILES O.O.O.[Ca].OC(=O)CS
Synonym calciumthioglycolatetrihydrate
InChI Key GDECCIJZCWLFSB-UHFFFAOYSA-N
Molecular Formula C2H10CaO5S
7

Calcium Methacrylate Hydrate, TCI America™
SDP

CAS: 16809-88-4 Molecular Formula: C8H12CaO4 Molecular Weight (g/mol): 212.258 MDL Number: MFCD00151661 InChI Key: QYOYGGOEWRXYDF-UHFFFAOYSA-N Synonym: Methacrylic Acid Calcium Salt PubChem CID: 131874840 IUPAC Name: calcium;2-methylprop-2-enoic acid SMILES: CC(=C)C(=O)O.CC(=C)C(=O)O.[Ca]

PubChem CID 131874840
CAS 16809-88-4
Molecular Weight (g/mol) 212.258
MDL Number MFCD00151661
SMILES CC(=C)C(=O)O.CC(=C)C(=O)O.[Ca]
Synonym Methacrylic Acid Calcium Salt
IUPAC Name calcium;2-methylprop-2-enoic acid
InChI Key QYOYGGOEWRXYDF-UHFFFAOYSA-N
Molecular Formula C8H12CaO4
8

Azocal A [for Calcium determination], TCI America™
SDP

CAS: 1836-22-2 Molecular Formula: C17H9N2Na3O9S2 Molecular Weight (g/mol): 518.35 MDL Number: MFCD00046379 InChI Key: SJYYQLRKEKKFSX-NETMGOMMSA-K PubChem CID: 131850130 IUPAC Name: trisodium 2-{2-[(1Z)-2-oxo-3,6-disulfonato-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}benzoate SMILES: [Na+].[Na+].[Na+].[O-]C(=O)C1=CC=CC=C1N\N=C1/C(=O)C(=CC2=CC(=CC=C12)S([O-])(=O)=O)S([O-])(=O)=O

PubChem CID 131850130
CAS 1836-22-2
Molecular Weight (g/mol) 518.35
MDL Number MFCD00046379
SMILES [Na+].[Na+].[Na+].[O-]C(=O)C1=CC=CC=C1N\N=C1/C(=O)C(=CC2=CC(=CC=C12)S([O-])(=O)=O)S([O-])(=O)=O
IUPAC Name trisodium 2-{2-[(1Z)-2-oxo-3,6-disulfonato-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}benzoate
InChI Key SJYYQLRKEKKFSX-NETMGOMMSA-K
Molecular Formula C17H9N2Na3O9S2
9

Calcium Glycolate 97.0+%, TCI America™
SDP

CAS: 996-23-6 Molecular Formula: C4H8CaO6 Molecular Weight (g/mol): 192.18 MDL Number: MFCD00067202 InChI Key: UPYDGZJYILCHSK-UHFFFAOYSA-N Synonym: Glycolic Acid Calcium Salt, Hydroxyacetic Acid Calcium Salt PubChem CID: 131888598 IUPAC Name: calcium;2-hydroxyacetic acid SMILES: C(C(=O)O)O.C(C(=O)O)O.[Ca]

PubChem CID 131888598
CAS 996-23-6
Molecular Weight (g/mol) 192.18
MDL Number MFCD00067202
SMILES C(C(=O)O)O.C(C(=O)O)O.[Ca]
Synonym Glycolic Acid Calcium Salt, Hydroxyacetic Acid Calcium Salt
IUPAC Name calcium;2-hydroxyacetic acid
InChI Key UPYDGZJYILCHSK-UHFFFAOYSA-N
Molecular Formula C4H8CaO6
10

Calcium meso-Tartrate Trihydrate 98.0+%, TCI America™
SDP

CAS: 815-79-2 Molecular Formula: C4H6CaO6 Molecular Weight (g/mol): 190.164 MDL Number: MFCD00151483 InChI Key: XTHSXAWAKVEMHZ-NUGIMEKKSA-N Synonym: Calcium Mesotartrate, Mesotartaric Acid Calcium Salt, meso-Tartaric Acid Calcium Salt PubChem CID: 131885529 IUPAC Name: calcium;(2R,3S)-2,3-dihydroxybutanedioic acid SMILES: C(C(C(=O)O)O)(C(=O)O)O.[Ca]

PubChem CID 131885529
CAS 815-79-2
Molecular Weight (g/mol) 190.164
MDL Number MFCD00151483
SMILES C(C(C(=O)O)O)(C(=O)O)O.[Ca]
Synonym Calcium Mesotartrate, Mesotartaric Acid Calcium Salt, meso-Tartaric Acid Calcium Salt
IUPAC Name calcium;(2R,3S)-2,3-dihydroxybutanedioic acid
InChI Key XTHSXAWAKVEMHZ-NUGIMEKKSA-N
Molecular Formula C4H6CaO6
11

Calcium Bis(fluorosulfonyl)imide 98.0+%, TCI America™
SDP

CAS: 1906900-37-5 Molecular Formula: CaF4N2O8S4

CAS 1906900-37-5
Molecular Formula CaF4N2O8S4
12

Folinic acid calcium salt hydrate, 98%, Thermo Scientific Chemicals

CAS: 1492-18-8 Molecular Formula: C20H21CaN7O7 Molecular Weight (g/mol): 511.51 MDL Number: MFCD00006704 InChI Key: KVUAALJSMIVURS-AEQORCIRNA-L Synonym: calcium folinate PubChem CID: 131675590 IUPAC Name: calcium;(4S)-4-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate SMILES: [Ca++].NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1

PubChem CID 131675590
CAS 1492-18-8
Molecular Weight (g/mol) 511.51
MDL Number MFCD00006704
SMILES [Ca++].NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1
Synonym calcium folinate
IUPAC Name calcium;(4S)-4-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate
InChI Key KVUAALJSMIVURS-AEQORCIRNA-L
Molecular Formula C20H21CaN7O7
13

Calcium(II) Bis(nonafluorobutanesulfonyl)imide 95.0+%, TCI America™
SDP

CAS: 689282-13-1 Molecular Formula: C16CaF36N2O8S4 Molecular Weight (g/mol): 1200.443 InChI Key: WGPFQGXTGKSRPV-UHFFFAOYSA-N Synonym: Bis(nonafluorobutanesulfonyl)imide Calcium(II) Salt PubChem CID: 134128889 IUPAC Name: calcium;bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide SMILES: C(C(C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F.C(C(C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F.[Ca+2]

PubChem CID 134128889
CAS 689282-13-1
Molecular Weight (g/mol) 1200.443
SMILES C(C(C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F.C(C(C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F.[Ca+2]
Synonym Bis(nonafluorobutanesulfonyl)imide Calcium(II) Salt
IUPAC Name calcium;bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide
InChI Key WGPFQGXTGKSRPV-UHFFFAOYSA-N
Molecular Formula C16CaF36N2O8S4
14

Calcium Lactobionate Hydrate 97.0+%, TCI America™
SDP

CAS: 5001-51-4 Molecular Formula: C12H22O12 Molecular Weight (g/mol): 358.30 MDL Number: MFCD00135895,MFCD10567434 InChI Key: JYTUSYBCFIZPBE-AMTLMPIISA-N Synonym: calciumlactobionate PubChem CID: 131879797 IUPAC Name: (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanoic acid SMILES: OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C(O)=O

PubChem CID 131879797
CAS 5001-51-4
Molecular Weight (g/mol) 358.30
MDL Number MFCD00135895,MFCD10567434
SMILES OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C(O)=O
Synonym calciumlactobionate
IUPAC Name (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanoic acid
InChI Key JYTUSYBCFIZPBE-AMTLMPIISA-N
Molecular Formula C12H22O12
15

Phosphocholine Chloride Calcium Salt Tetrahydrate 98.0+%, TCI America™
SDP

CAS: 72556-74-2 Molecular Formula: C5H23CaClNO8P Molecular Weight (g/mol): 331.74 MDL Number: MFCD00149983 InChI Key: YFRZEXLBVHTMGV-UHFFFAOYSA-N Synonym: Phosphorylcholine Chloride Calcium Salt PubChem CID: 131858236 IUPAC Name: calcium;trimethyl(2-phosphonooxyethyl)azanium;chloride;tetrahydrate SMILES: C[N+](C)(C)CCOP(=O)(O)O.O.O.O.O.[Cl-].[Ca]

PubChem CID 131858236
CAS 72556-74-2
Molecular Weight (g/mol) 331.74
MDL Number MFCD00149983
SMILES C[N+](C)(C)CCOP(=O)(O)O.O.O.O.O.[Cl-].[Ca]
Synonym Phosphorylcholine Chloride Calcium Salt
IUPAC Name calcium;trimethyl(2-phosphonooxyethyl)azanium;chloride;tetrahydrate
InChI Key YFRZEXLBVHTMGV-UHFFFAOYSA-N
Molecular Formula C5H23CaClNO8P