Betamethasone benzoate

CAS Registry Number®

22298-29-9
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CAS Name

Betamethasone benzoate

Molecular Formula

C29H33FO6

Molecular Mass

496.57

Cite this Page

Betamethasone benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22298-29-9 (retrieved 2024-04-29) (CAS RN: 22298-29-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    225-228 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1

InChIKey

InChIKey=SOQJPQZCPBDOMF-YCUXZELOSA-N

SMILES

O(C(=O)C1=CC=CC=C1)[C@@]2(C(CO)=O)[C@]3(C)[C@@](C[C@@H]2C)([C@]4([C@](F)([C@@H](O)C3)[C@]5(C)C(CC4)=CC(=O)C=C5)[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC(C)C(OC(=O)C=5C=CC=CC5)(C(=O)CO)C4(C)CC(O)C32F)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 17-(benzoyloxy)-9-fluoro-11,21-dihydroxy-16-methyl-, (11β,16β)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16β-methyl-, 17-benzoate
  • (11β,16β)-17-(Benzoyloxy)-9-fluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
  • Betamethasone 17-benzoate
  • Betamethasone benzoate

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