Pregnane-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-, sodium salt (1:1), (5β)-

CAS Registry Number®

53-10-1

CAS Name

Pregnane-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-, sodium salt (1:1), (5β)-

Molecular Formula

C25H36O6.Na

Cite this Page

Pregnane-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-, sodium salt (1:1), (5β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53-10-1 (retrieved 2024-12-23) (CAS RN: 53-10-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    201 °C (decomp)

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C25H36O6.Na/c1-24-11-9-16(26)13-15(24)3-4-17-18-5-6-20(25(18,2)12-10-19(17)24)21(27)14-31-23(30)8-7-22(28)29;/h15,17-20H,3-14H2,1-2H3,(H,28,29);/t15-,17+,18+,19+,20-,24+,25+;/m1./s1

InChIKey

InChIKey=IUMTWEQQQMEHMW-OOFWROCWSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(CC(=O)CC4)[H])(CC1)[H])[H])(CC[C@@H]2C(COC(CCC(O)=O)=O)=O)[H].[Na]

Canonical SMILES

[Na].O=C(O)CCC(=O)OCC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Pregnane-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-, sodium salt (1:1), (5β)-
  • 5β-Pregnane-3,20-dione, 21-hydroxy-, hydrogen succinate sodium salt
  • Pregnane-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-, sodium salt, (5β)-
  • 5β-Pregnane-3,20-dione, 21-hydroxy-, succinate, sodium salt
  • Succinic acid, monoester with 21-hydroxy-5β-pregnane-3,20-dione, sodium salt

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Deleted or Replaced CAS Registry Numbers

60187-23-7

CAS INSIGHTSTM
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