3-Sulfoglycolithocholic acid disodium salt
CAS Registry Number®
64936-82-9
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CAS Name
3-Sulfoglycolithocholic acid disodium saltMolecular Formula
C26H43NO7S.2NaCite this Page
3-Sulfoglycolithocholic acid disodium salt. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=64936-82-9 (retrieved ) (CAS RN: 64936-82-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C26H43NO7S.2Na/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3;;/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33);;/t16-,17-,18-,19+,20-,21+,22+,25+,26-;;/m1../s1
InChIKey
InChIKey=BSGXDGBJYOSJML-DJOVSRRHSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@H](OS(=O)(=O)O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(NCC(O)=O)=O)C)[H])[H].[Na]
Canonical SMILES
[Na].O=C(O)CNC(=O)CCC(C)C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C
Other Names for this Substance
- Glycine, N-[(3α,5β)-24-oxo-3-(sulfooxy)cholan-24-yl]-, sodium salt (1:2)
- Glycine, N-[(3α,5β)-24-oxo-3-(sulfooxy)cholan-24-yl]-, disodium salt
- 3-Sulfoglycolithocholic acid disodium salt
