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IUPAC name:
sodium 2-[(3,12-dihydroxy-24-oxocholan-24-yl)amino]ethanesulfonate

Inventory

EC number:
214-652-0
EC name:
Sodium 2-[[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino]ethane-1-sulphonate
CAS number:
1180-95-6
CAS number:
1180-95-6
Synonyms
Names:
Ethanesulfonic acid, 2-[[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]amino]-, monosodiu

Molecular and structural information

Molecular formula:
C26H45NO6S.Na
Molecular weight:
521.685
SMILES notation:
[Na+].C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChl:
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
Structural formula:
Chemical structure

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