Triamcinolone benetonide

CAS Registry Number®

31002-79-6

CAS Name

Triamcinolone benetonide

Molecular Formula

C35H42FNO8

Molecular Mass

623.71

Cite this Page

Triamcinolone benetonide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31002-79-6 (retrieved 2024-11-22) (CAS RN: 31002-79-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    205 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C35H42FNO8/c1-20(18-37-29(41)21-9-7-6-8-10-21)30(42)43-19-27(40)35-28(44-31(2,3)45-35)16-25-24-12-11-22-15-23(38)13-14-32(22,4)34(24,36)26(39)17-33(25,35)5/h6-10,13-15,20,24-26,28,39H,11-12,16-19H2,1-5H3,(H,37,41)/t20?,24-,25-,26-,28+,32-,33-,34-,35+/m0/s1

InChIKey

InChIKey=GUYPYYARYIIWJZ-CYEPYHPTSA-N

SMILES

C(COC(C(CNC(=O)C1=CC=CC=C1)C)=O)(=O)[C@]23[C@]4(C)[C@@](C[C@]2(OC(C)(C)O3)[H])([C@]5([C@](F)([C@@H](O)C4)[C@]6(C)C(CC5)=CC(=O)C=C6)[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC5OC(OC5(C(=O)COC(=O)C(C)CNC(=O)C=6C=CC=CC6)C4(C)CC(O)C32F)(C)C)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 21-[3-(benzoylamino)-2-methyl-1-oxopropoxy]-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,16α,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone, 21-ester with N-benzoyl-2-methyl-β-alanine
  • (11β,16α)-21-[3-(Benzoylamino)-2-methyl-1-oxopropoxy]-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
  • Triamcinolone acetonide 21-(benzoyl-β-aminoisobutyrate)
  • β-Alanine, N-benzoyl-2-methyl-, 21-ester with 9-fluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with acetone

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration