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Substance Name: Hydrocortisone 21-(sodium 3-sulphonatobenzoate)
RN: 33767-03-2
InChIKey: XGCAQYZQAVKKHC-VDYYWZOJSA-M

Molecular Formula

  • C28-H34-O9-S.Na

Molecular Weight

  • 568.616
 
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Names and Synonyms

Synonym

  • EINECS 251-671-3

Systematic Names

  • Cortisol, 21-(m-sulfobenzoate), monosodium salt
  • Hydrocortisone 21-(sodium 3-sulphonatobenzoate)
  • Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-((3-sulfobenzoyl)oxy)-, monosodium salt, (11beta)-

Registry Numbers

CAS Registry Number

  • 33767-03-2

System Generated Number

  • 0033767032

Molecular Formulas

Molecular Formula

  • C28-H34-O9-S.Na

Molecular Formula Fragments

  • C28-H34-O9-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H34O9S.Na/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36;/h3-5,12-13,20-22,24,30,33H,6-11,14-15H2,1-2H3,(H,34,35,36);/q;+1/p-1/t20-,21-,22-,24+,26-,27-,28-;/m0./s1

InChIKey

XGCAQYZQAVKKHC-VDYYWZOJSA-M

Smiles

S(=O)(=O)([O-])c1cc(C(OCC([C@@]2(CC[C@H]3[C@@H]4CCC=5[C@@]([C@H]4[C@H](C[C@@]23C)O)(CCC(=O)C5)C)O)=O)=O)ccc1.[Na+]