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CAS RN 345909-26-4

(R)S(S)(S)(S)(R)(S)(S)(R)(R)OOOO(R)NHOHOH(R)HOHHHHNaMeMeMe

CAS RN 345909-26-4

IUPAC Name: 2-(4-{4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanamido)ethane-1-sulfonic acid sodium
Synonyms: taurocholic acid sodium
Molecular Weight (g/mol): 538.7
Molecular Formula: C26H45NNaO7S
InChi Key: LHLYEKPSOJJBMK-UHFFFAOYNA-N
SMILES: [Na].CC(CCC(=O)NCCS(O)(=O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
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1

Sodium taurocholate hydrate, 96%

CAS: 345909-26-4 Molecular Formula: C26H44NNaO7S Molecular Weight (g/mol): 537.688 MDL Number: MFCD00150819 InChI Key: JAJWGJBVLPIOOH-VXFFEJGCSA-M Synonym: sodium taurocholate,taurocholic acid sodium salt,taurocholate sodium,taurocholate sodium salt,unii-m6n3th81no,monosodium n-choloyltaurinate,m6n3th81no,monosodium taurocholate,sodium n-choloyltaurinate,monosodium taurocholic acid PubChem CID: 131632374 IUPAC Name: sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]

EDGE
PubChem CID 131632374
CAS 345909-26-4
Molecular Weight (g/mol) 537.688
MDL Number MFCD00150819
SMILES CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]
Synonym sodium taurocholate,taurocholic acid sodium salt,taurocholate sodium,taurocholate sodium salt,unii-m6n3th81no,monosodium n-choloyltaurinate,m6n3th81no,monosodium taurocholate,sodium n-choloyltaurinate,monosodium taurocholic acid
IUPAC Name sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
InChI Key JAJWGJBVLPIOOH-VXFFEJGCSA-M
Molecular Formula C26H44NNaO7S
2

Thermo Scientific Chemicals Taurocholic acid, sodium salt hydrate, 98%

CAS: 345909-26-4 Molecular Formula: C26H44NNaO7S Molecular Weight (g/mol): 537.69 MDL Number: MFCD00150819 InChI Key: JAJWGJBVLPIOOH-IZYKLYLVSA-M Synonym: Sodium taurocholate hydrate PubChem CID: 23687511 SMILES: [Na+].[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C

PubChem CID 23687511
CAS 345909-26-4
Molecular Weight (g/mol) 537.69
MDL Number MFCD00150819
SMILES [Na+].[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C
Synonym Sodium taurocholate hydrate
InChI Key JAJWGJBVLPIOOH-IZYKLYLVSA-M
Molecular Formula C26H44NNaO7S