(11β,16α)-21-(Acetyloxy)-3-(2-chloroethoxy)-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-20-oxopregna-3,5-diene-6-carbonitrile

CAS Registry Number®

19705-61-4
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CAS Name

(11β,16α)-21-(Acetyloxy)-3-(2-chloroethoxy)-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-20-oxopregna-3,5-diene-6-carbonitrile

Molecular Formula

C29H37ClFNO7

Molecular Mass

566.06

Cite this Page

(11β,16α)-21-(Acetyloxy)-3-(2-chloroethoxy)-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-20-oxopregna-3,5-diene-6-carbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19705-61-4 (retrieved 2024-04-25) (CAS RN: 19705-61-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    213-215 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H37ClFNO7/c1-16(33)37-15-23(35)29-24(38-25(2,3)39-29)12-20-21-10-17(14-32)19-11-18(36-9-8-30)6-7-26(19,4)28(21,31)22(34)13-27(20,29)5/h11,20-22,24,34H,6-10,12-13,15H2,1-5H3/t20-,21-,22-,24+,26-,27-,28-,29+/m0/s1

InChIKey

InChIKey=SOESEFMFRCCMQV-QWAPGEGQSA-N

SMILES

C(COC(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(=C(C#N)C4)C=C(OCCCl)CC5)[H])[H]

Canonical SMILES

N#CC1=C2C=C(OCCCl)CCC2(C)C3(F)C(O)CC4(C)C(CC5OC(OC54C(=O)COC(=O)C)(C)C)C3C1

Other Names for this Substance

  • Pregna-3,5-diene-6-carbonitrile, 21-(acetyloxy)-3-(2-chloroethoxy)-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-20-oxo-, (11β,16α)-
  • Pregna-3,5-diene-6-carbonitrile, 3-(2-chloroethoxy)-9-fluoro-11β,16α,17,21-tetrahydroxy-20-oxo-, cyclic 16,17-acetal with acetone, 21-acetate
  • (11β,16α)-21-(Acetyloxy)-3-(2-chloroethoxy)-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-20-oxopregna-3,5-diene-6-carbonitrile
  • Cicortonide

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