Sodium chenodeoxycholate
CAS Registry Number®
2646-38-0
CAS Name
Sodium chenodeoxycholateMolecular Formula
C24H40O4.NaCite this Page
Sodium chenodeoxycholate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=2646-38-0 (retrieved ) (CAS RN: 2646-38-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H40O4.Na/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26;/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28);/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-;/m1./s1
InChIKey
InChIKey=DOVZGADDWOFQEZ-OICFXQLMSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](C[C@H]3O)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H].[Na]
Canonical SMILES
[Na].O=C(O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Other Names for this Substance
- Cholan-24-oic acid, 3,7-dihydroxy-, monosodium salt, (3α,5β,7α)-
- 5β-Cholan-24-oic acid, 3α,7α-dihydroxy-, monosodium salt
- 5β-Cholanic acid, 3α,7α-dihydroxy-, sodium salt
- Chenodesoxycholic acid sodium salt
- Sodium chenodeoxycholate
Deleted or Replaced CAS Registry Numbers
55400-03-8
