Sodium glycochenodeoxycholate

CAS Registry Number®

16564-43-5

CAS Name

Sodium glycochenodeoxycholate

Molecular Formula

C26H43NO5.Na

Cite this Page

Sodium glycochenodeoxycholate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16564-43-5 (retrieved 2024-12-22) (CAS RN: 16564-43-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    160-170 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H43NO5.Na/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=JIHVOAVQLCYLKZ-YRJJIGPTSA-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].[Na]

Canonical SMILES

[Na].O=C(O)CNC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Glycine, N-[(3α,5β,7α)-3,7-dihydroxy-24-oxocholan-24-yl]-, sodium salt (1:1)
  • Glycine, N-(3α,7α-dihydroxy-5β-cholan-24-oyl)-, monosodium salt
  • Glycine, N-[(3α,5β,7α)-3,7-dihydroxy-24-oxocholan-24-yl]-, monosodium salt
  • Glycochenodeoxycholic acid sodium salt
  • Sodium glycochenodeoxycholate

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