Meclorisone dibutyrate

CAS Registry Number®

10549-91-4

CAS Name

Meclorisone dibutyrate

Molecular Formula

C30H40Cl2O6

Molecular Mass

567.54

Cite this Page

Meclorisone dibutyrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10549-91-4 (retrieved 2024-11-22) (CAS RN: 10549-91-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H40Cl2O6/c1-6-8-25(35)37-17-24(34)30(38-26(36)9-7-2)18(3)14-22-21-11-10-19-15-20(33)12-13-27(19,4)29(21,32)23(31)16-28(22,30)5/h12-13,15,18,21-23H,6-11,14,16-17H2,1-5H3/t18-,21+,22+,23+,27+,28+,29+,30+/m1/s1

InChIKey

InChIKey=HUXCOHMTWUSXGY-GAPIFECDSA-N

SMILES

C(COC(CCC)=O)(=O)[C@]1(OC(CCC)=O)[C@]2(C)[C@@](C[C@H]1C)([C@]3([C@](Cl)([C@@H](Cl)C2)[C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC(C)C(OC(=O)CCC)(C(=O)COC(=O)CCC)C4(C)CC(Cl)C32Cl)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 9,11-dichloro-16-methyl-17,21-bis(1-oxobutoxy)-, (11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 9,11β-dichloro-17,21-dihydroxy-16α-methyl-, dibutyrate
  • (11β,16α)-9,11-Dichloro-16-methyl-17,21-bis(1-oxobutoxy)pregna-1,4-diene-3,20-dione
  • Butyric acid, diester with 9,11β-dichloro-17,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione
  • Schering No. 11572

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Deleted or Replaced CAS Registry Numbers

67512-15-6

CAS INSIGHTSTM
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