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Substance Name: Di-hydrocortisone phosphate
RN: 20513-23-9
UNII: 4A78231F9N
InChIKey: HMMOXJPVUJGICF-QVSAGJHQSA-N

Molecular Formula

  • C42-H59-O12-P

Molecular Weight

  • 786.8901
 
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Names and Synonyms

Name of Substance

  • Di-hydrocortisone phosphate

Synonyms

  • Cortisol, 21,21'-phosphate
  • Di-hydrocortisone phosphate
  • Pregn-4-ene-3,20-dione, 11beta,17,21-trihydroxy-, 21,21'-(hydrogen phosphate)
  • Pregn-4-ene-3,20-dione, 21,21'-(phosphinicobis(oxy))bis(11,17-dihydroxy-, (11beta)-(11'beta)-
  • UNII-4A78231F9N

Registry Numbers

CAS Registry Number

  • 20513-23-9

FDA UNII

  • 4A78231F9N

System Generated Number

  • 0020513239

Structure Descriptors

InChI

1S/C42H59O12P/c1-37-13-9-25(43)17-23(37)5-7-27-29-11-15-41(49,39(29,3)19-31(45)35(27)37)33(47)21-53-55(51,52)54-22-34(48)42(50)16-12-30-28-8-6-24-18-26(44)10-14-38(24,2)36(28)32(46)20-40(30,42)4/h17-18,27-32,35-36,45-46,49-50H,5-16,19-22H2,1-4H3,(H,51,52)/t27-,28-,29-,30-,31-,32-,35+,36+,37-,38-,39-,40-,41-,42-/m0/s1

InChIKey

HMMOXJPVUJGICF-QVSAGJHQSA-N

Smiles

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COP(=O)(O)OCC(=O)[C@]5(CC[C@@H]6[C@@]5(C[C@@H]([C@H]7[C@H]6CCC8=CC(=O)CC[C@]78C)O)C)O)O)C)O