Glycoursodeoxycholic acid

CAS Registry Number®

64480-66-6
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CAS Name

Glycoursodeoxycholic acid

Molecular Formula

C26H43NO5

Cite this Page

Glycoursodeoxycholic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64480-66-6 (retrieved 2024-06-16) (CAS RN: 64480-66-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1

InChIKey

InChIKey=GHCZAUBVMUEKKP-XROMFQGDSA-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(NCC(O)=O)=O)C)[H])[H]

Canonical SMILES

O=C(O)CNC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Glycine, N-[(3α,5β,7β)-3,7-dihydroxy-24-oxocholan-24-yl]-
  • Glycoursodeoxycholic acid
  • N-[(3α,5β,7β)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine
  • N-(3α,7β-Dihydroxy-5β-cholan-24-oyl)glycine
  • 3α,7β-Dihydroxy-5β-cholanoylglycine

Deleted or Replaced CAS Registry Numbers

474-26-0, 2273-95-2

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