Triamcinolone hexacetonide

CAS Registry Number®

5611-51-8
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CAS Name

Triamcinolone hexacetonide

Molecular Formula

C30H41FO7

Molecular Mass

532.64

Cite this Page

Triamcinolone hexacetonide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=5611-51-8 (retrieved 2024-04-29) (CAS RN: 5611-51-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    295 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1

InChIKey

InChIKey=TZIZWYVVGLXXFV-FLRHRWPCSA-N

SMILES

C(COC(CC(C)(C)C)=O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(C)(C)O2)[H])([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)CCC3C4CC5OC(OC5(C(=O)COC(=O)CC(C)(C)C)C4(C)CC(O)C32F)(C)C)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 21-(3,3-dimethyl-1-oxobutoxy)-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-(3,3-dimethylbutyrate)
  • Butyric acid, 3,3-dimethyl-, 21-ester with 9-fluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with acetone
  • (11β,16α)-21-(3,3-Dimethyl-1-oxobutoxy)-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
  • CL 34433

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