Taurocholic acid sodium salt

Catalog Number: BC-0922

CAS Number: 145-42-6

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Specifications

Product Information
Molecular Formula	C₂₆H₄₄NNaO₇S
Molecular Weight	537.68
Purity	≥97% by TLC
SMILES	CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]
InChi	InChI=1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1
InChi Key	JAJWGJBVLPIOOH-IZYKLYLVSA-M
Alternate Name	2-[(3α,7α,12α-Trihydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonic acid, 3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid N-(2-sulfoethyl)amide, Sodium taurocholate
Appearance	White to off-white solid
IUPAC Name	Ethanesulfonic acid, 2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-, sodium salt (1:1)

Properties
Storage Conditions	4°C
Shipping Conditions	RT
Solubility	H₂O (100 mg/ml)

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