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   ChemNet > CAS > 1180-95-6 sodium 2-[[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino]ethane-1-sulphonate

1180-95-6 sodium 2-[[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino]ethane-1-sulphonate

product Name sodium 2-[[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino]ethane-1-sulphonate
CAS No 1180-95-6
Synonyms Sodium taurodeoxycholate; UNII-5PE424S83L; Sodium 2-(((3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl)amino)ethane-1-sulphonate; sodium 2-[(3,7-dihydroxy-24-oxocholan-24-yl)amino]ethyl sulfate; sodium 2-{[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate
Molecular Formula C26H44NNaO6S
Molecular Weight 521.6854
InChI InChI=1/C26H45NO6S.Na/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;/m1./s1
EINECS 214-652-0
Molecular Structure 1180-95-6 sodium 2-[[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino]ethane-1-sulphonate
Melting point 204-208℃
Water solubility soluble
Hazard Symbols  Xi:Irritant;
Risk Codes R37:;
Safety Description