CAS Registry Number®
128-13-2
CAS Name
Ursodeoxycholic acid
Molecular Formula
C24H40O4
Molecular Mass
392.57
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-UZVSRGJWSA-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,7β)-
- 5β-Cholan-24-oic acid, 3α,7β-dihydroxy-
- 5β-Cholanic acid, 3α,7β-dihydroxy-
- (3α,5β,7β)-3,7-Dihydroxycholan-24-oic acid
- 17β-(1-Methyl-3-carboxypropyl)etiocholane-3α,7β-diol
- Ursocholic acid, deoxy-
- Ursodeoxycholic acid
- Ursodesoxycholic acid
- 3α,7β-Dihydroxy-5β-cholan-24-oate
- 3α,7β-Dihydroxycholanic acid
- 3α,7β-Dihydroxy-5β-cholanic acid
- 3α,7β-Dihydroxy-5β-cholanoic acid
- 7β-Hydroxylithocholic acid
- 3α,7β-Dihydroxy-5β-cholan-24-oic acid
- Urso
- Actigall
- Ursodiol
- Deursil
- Desocol
- Ursofalk
- Ursochol
- Cholit-Ursan
- Ursacol
- Destolit
- Paptarom
- Arsacol
- Urdes
- Solutrat
- Lyeton
- Ursobilin
- Ursolvan
- Ursodamor
- Delursan
- Desol
- Litursol
- NSC 683769
- Adursal
- UDCA
- Ursic acid
- Ursosan
- Ursocol
- Ursogall
- Urosiol
Deleted or Replaced CAS Registry Numbers
50809-41-1, 80225-86-1, 2599839-20-8
