Tauroursodeoxycholic acid
CAS Registry Number®
14605-22-2
No image available.
CAS Name
Tauroursodeoxycholic acidMolecular Formula
C26H45NO6SMolecular Mass
499.70Cite this Page
Tauroursodeoxycholic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=14605-22-2 (retrieved ) (CAS RN: 14605-22-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Density (1)
1 g/cm³ (approx) (solid)
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1
InChIKey
InChIKey=BHTRKEVKTKCXOH-LBSADWJPSA-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(NCCS(=O)(=O)O)=O)C)[H])[H]
Canonical SMILES
O=C(NCCS(=O)(=O)O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Other Names for this Substance
- Ethanesulfonic acid, 2-[[(3α,5β,7β)-3,7-dihydroxy-24-oxocholan-24-yl]amino]-
- Taurine, N-(3α,7β-dihydroxy-5β-cholan-24-oyl)-
- Tauroursodeoxycholic acid
- Cholane, ethanesulfonic acid deriv.
- 2-[[(3α,5β,7β)-3,7-Dihydroxy-24-oxocholan-24-yl]amino]ethanesulfonic acid
Deleted or Replaced CAS Registry Numbers
130656-42-7
