Sodium glycocholate

CAS Registry Number®

863-57-0

CAS Name

Sodium glycocholate

Molecular Formula

C26H43NO6.Na

Cite this Page

Sodium glycocholate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=863-57-0 (retrieved 2024-11-25) (CAS RN: 863-57-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    230-240 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H43NO6.Na/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1

InChIKey

InChIKey=JYJMYNJSOKXCRT-ZUHYDKSRSA-N

SMILES

O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(NCC(O)=O)=O)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]4(C)[C@](C1)(C[C@H](O)CC4)[H])[H])[H])[H].[Na]

Canonical SMILES

[Na].O=C(O)CNC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C

Other Names for this Substance

  • Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, sodium salt (1:1)
  • Glycine, N-choloyl-, monosodium salt
  • Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, monosodium salt
  • Cholane, glycine deriv.
  • Sodium glycocholate

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Deleted or Replaced CAS Registry Numbers

165048-46-4

CAS INSIGHTSTM
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