Sodium glycodeoxycholate

CAS Registry Number®

16409-34-0

CAS Name

Sodium glycodeoxycholate

Molecular Formula

C26H43NO5.Na

Cite this Page

Sodium glycodeoxycholate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16409-34-0 (retrieved 2024-11-22) (CAS RN: 16409-34-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    245-250 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=IIYSTUUVIASHBG-YEUHZSMFSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@H](O)CC4)[H])(C[C@@H]1O)[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)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C

Other Names for this Substance

  • Glycine, N-[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]-, sodium salt (1:1)
  • Glycine, N-(3α,12α-dihydroxy-5β-cholan-24-oyl)-, monosodium salt
  • Glycodeoxycholic acid, sodium salt
  • Glycine, N-[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]-, monosodium salt
  • Cholane, glycine deriv.

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