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CAS RN 145224-92-6

CAS RN 145224-92-6

IUPAC Name: 4-{7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid hydrate sodium
Synonyms: acid, deoxycholic hydrate sodium
Molecular Weight (g/mol): 433.59
Molecular Formula: C24H42NaO5
InChi Key: HKLBTQUQYACMJN-UHFFFAOYNA-N
SMILES: O.[Na].CC(CCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
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1

Sodium deoxycholate monohydrate, 97%, Thermo Scientific Chemicals

CAS: 302-95-4 Molecular Formula: C24H41NaO5 Molecular Weight (g/mol): 432.58 MDL Number: MFCD00150750 MFCD00064139 InChI Key: NDVHNZISGVSFMP-WTCAICSISA-M Synonym: 7-Deoxycholic acid sodium salt PubChem CID: 91810855 IUPAC Name: sodium (4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate hydrate SMILES: O.[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC([O-])=O

EDGE
PubChem CID 91810855
CAS 302-95-4
Molecular Weight (g/mol) 432.58
MDL Number MFCD00150750 MFCD00064139
SMILES O.[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC([O-])=O
Synonym 7-Deoxycholic acid sodium salt
IUPAC Name sodium (4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate hydrate
InChI Key NDVHNZISGVSFMP-WTCAICSISA-M
Molecular Formula C24H41NaO5
2

Sodium deoxycholate monohydrate, 98%, Thermo Scientific Chemicals

CAS: 145224-92-6 Molecular Formula: C24H41NaO5 Molecular Weight (g/mol): 432.58 MDL Number: MFCD00150750 MFCD00064139 InChI Key: NDVHNZISGVSFMP-WTCAICSISA-M Synonym: 3alpha,5beta,12alpha-3,12-dihydroxycholan-24-oic acid monosodium salt monohydrate PubChem CID: 67096373 SMILES: O.[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC([O-])=O

PubChem CID 67096373
CAS 145224-92-6
Molecular Weight (g/mol) 432.58
MDL Number MFCD00150750 MFCD00064139
SMILES O.[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC([O-])=O
Synonym 3alpha,5beta,12alpha-3,12-dihydroxycholan-24-oic acid monosodium salt monohydrate
InChI Key NDVHNZISGVSFMP-WTCAICSISA-M
Molecular Formula C24H41NaO5