CAS Registry Number®
474-25-9
CAS Name
Chenodeoxycholic acid
Molecular Formula
C24H40O4
Molecular Mass
392.57
Compound Properties
-
Melting Point (1)
119 °C
-
Density (2)
1 g/cm³ (approx) (solid)
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Lin, Yi-Shou; Journal of Pharmaceutical Sciences, (2017), 106(5), 1391-1395, CAplus
Other Names and Identifiers
InChI
InChI=1S/C24H40O4/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=RUDATBOHQWOJDD-BSWAIDMHSA-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]
Canonical SMILES
O=C(O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Other Names for this Substance
- Cholan-24-oic acid, 3,7-dihydroxy-, (3α,5β,7α)-
- 5β-Cholan-24-oic acid, 3α,7α-dihydroxy-
- 5β-Cholanic acid, 3α,7α-dihydroxy-
- (3α,5β,7α)-3,7-Dihydroxycholan-24-oic acid
- Anthropodeoxycholic acid
- Anthropodesoxycholic acid
- Chenodeoxycholic acid
- Chenodesoxycholic acid
- 3α,7α-Dihydroxycholanic acid
- Gallodesoxycholic acid
- 17β-(1-Methyl-3-carboxypropyl)etiocholane-3α,7α-diol
- 3α,7α-Dihydroxy-5β-cholanic acid
- 3α,7α-Dihydroxy-5β-cholanoic acid
- Anthropododesoxycholic acid
- CDC
- 3α,7α-Dihydroxy-5β-cholan-24-oic acid
- Chenic acid
- Chendol
- Chenodiol
- 7α-Hydroxylithocholic acid
- Chenofalk
- Chenix
- Chenocol
- Chenodex
- Hekbilin
- Ulmenide
- Cholanorm
- Fluibil
- Chenocedon
- Kebilis
- Chenossil
- (+)-Chenodeoxycholic acid
- MeSH ID: D002635
