Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-(sulfooxy)-, sodium salt (1:1), (11β)-

CAS Registry Number®

3664-95-7
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CAS Name

Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-(sulfooxy)-, sodium salt (1:1), (11β)-

Molecular Formula

C21H28O8S.Na

Cite this Page

Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-(sulfooxy)-, sodium salt (1:1), (11β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3664-95-7 (retrieved 2024-04-20) (CAS RN: 3664-95-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    120 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H28O8S.Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H,26,27,28);/t14-,15-,16-,18+,19-,20-,21-;/m0./s1

InChIKey

InChIKey=XFSDTDHBNGAEGY-WDCKKOMHSA-N

SMILES

C[C@@]12[C@]([C@]3([C@]([C@@H](O)C1)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])(CC[C@@]2(C(COS(=O)(=O)O)=O)O)[H].[Na]

Canonical SMILES

[Na].O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)COS(=O)(=O)O)C4(C)CC(O)C32)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-(sulfooxy)-, sodium salt (1:1), (11β)-
  • Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 21-(hydrogen sulfate), monosodium salt
  • Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-(sulfooxy)-, monosodium salt, (11β)-
  • Prednisolone 21-sulfate sodium salt
  • Prednisolone sodium sulfate

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