CAS Registry Number®
302-95-4
CAS Name
Sodium deoxycholate
Molecular Formula
C24H40O4.Na
Other Names and Identifiers
InChI
InChI=1S/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m1./s1
InChIKey
InChIKey=YPDYHIHOBIXUTB-SMOYURAASA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@H](O)CC4)[H])(C[C@@H]1O)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H].[Na]
Canonical SMILES
[Na].O=C(O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
Other Names for this Substance
- Cholan-24-oic acid, 3,12-dihydroxy-, sodium salt (1:1), (3α,5β,12α)-
- 5β-Cholan-24-oic acid, 3α,12α-dihydroxy-, monosodium salt
- Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3α,5β,12α)-
- Sodium deoxycholate
- Sodium desoxycholate
- Sodium 3α,12α-dihydroxy-5β-cholanate
- Deoxycholic acid sodium salt
- Deoxycholic acid monosodium salt
- Desoxycholate sodium
- Sodium 7-deoxycholate
- Desoxycholic acid sodium salt
- NSC 681065
Deleted or Replaced CAS Registry Numbers
98805-61-9, 1089720-51-3
