Prednisolone tebutate

CAS Registry Number®

7681-14-3
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CAS Name

Prednisolone tebutate

Molecular Formula

C27H38O6

Molecular Mass

458.59

Cite this Page

Prednisolone tebutate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7681-14-3 (retrieved 2024-05-02) (CAS RN: 7681-14-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    266-273 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C27H38O6/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/h8,10,12,18-20,23,29,32H,6-7,9,11,13-15H2,1-5H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1

InChIKey

InChIKey=HUMXXHTVHHLNRO-KAJVQRHHSA-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(COC(CC(C)(C)C)=O)=O)O)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)COC(=O)CC(C)(C)C)C4(C)CC(O)C32)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 21-(3,3-dimethyl-1-oxobutoxy)-11,17-dihydroxy-, (11β)-
  • Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 21-(3,3-dimethylbutyrate)
  • Butyric acid, 3,3-dimethyl-, 21-ester with 11β,17,21-trihydroxypregna-1,4-diene-3,20-dione
  • (11β)-21-(3,3-Dimethyl-1-oxobutoxy)-11,17-dihydroxypregna-1,4-diene-3,20-dione
  • Prednisolone 21-tert-butylacetate

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Deleted or Replaced CAS Registry Numbers

7114-05-8

CAS INSIGHTSTM
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