(2β,3α,5α)-21-Chloro-3-hydroxy-2-(4-morpholinyl)pregnan-20-one

CAS Registry Number®

156685-94-8
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CAS Name

(2β,3α,5α)-21-Chloro-3-hydroxy-2-(4-morpholinyl)pregnan-20-one

Molecular Formula

C25H40ClNO3

Molecular Mass

438.04

Cite this Page

(2β,3α,5α)-21-Chloro-3-hydroxy-2-(4-morpholinyl)pregnan-20-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=156685-94-8 (retrieved 2024-04-20) (CAS RN: 156685-94-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H40ClNO3/c1-24-8-7-19-17(18(24)5-6-20(24)23(29)15-26)4-3-16-13-22(28)21(14-25(16,19)2)27-9-11-30-12-10-27/h16-22,28H,3-15H2,1-2H3/t16-,17-,18-,19-,20+,21-,22-,24-,25-/m0/s1

InChIKey

InChIKey=NZFNABGZEQPYBX-PMBZPZLSSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(CCl)=O)CC4)[H])(CC[C@]1(C[C@H](O)[C@H](C2)N5CCOCC5)[H])[H])[H]

Canonical SMILES

O=C(CCl)C1CCC2C3CCC4CC(O)C(N5CCOCC5)CC4(C)C3CCC12C

Other Names for this Substance

  • Pregnan-20-one, 21-chloro-3-hydroxy-2-(4-morpholinyl)-, (2β,3α,5α)-
  • (2β,3α,5α)-21-Chloro-3-hydroxy-2-(4-morpholinyl)pregnan-20-one

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