Hydrocortisone tebutate

CAS Registry Number®

508-96-3
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CAS Name

Hydrocortisone tebutate

Molecular Formula

C27H40O6

Molecular Mass

460.60

Cite this Page

Hydrocortisone tebutate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=508-96-3 (retrieved 2024-05-03) (CAS RN: 508-96-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    168 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C27H40O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h12,18-20,23,29,32H,6-11,13-15H2,1-5H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1

InChIKey

InChIKey=FNFPHNZQOKBKHN-KAJVQRHHSA-N

SMILES

C[C@@]12[C@]([C@]3([C@]([C@@H](O)C1)([C@]4(C)C(CC3)=CC(=O)CC4)[H])[H])(CC[C@@]2(C(COC(CC(C)(C)C)=O)=O)O)[H]

Canonical SMILES

O=C(OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)CC(C)(C)C

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 21-(3,3-dimethyl-1-oxobutoxy)-11,17-dihydroxy-, (11β)-
  • Cortisol, 21-(3,3-dimethylbutyrate)
  • (11β)-21-(3,3-Dimethyl-1-oxobutoxy)-11,17-dihydroxypregn-4-ene-3,20-dione
  • Hydrocortisone tert-butylacetate
  • Hydrocortisone 21-(β,β-dimethylbutyrate)

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