Glycoursodeoxycholic acid
CAS Registry Number®
64480-66-6
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CAS Name
Glycoursodeoxycholic acidMolecular Formula
C26H43NO5Cite this Page
Glycoursodeoxycholic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=64480-66-6 (retrieved ) (CAS RN: 64480-66-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
228 °C
Source(s)
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
