(2beta,3alpha,5alpha)-21-Chloro-3-Hydroxy-2-(4-Morpholinyl)Pregnan-20-One
[CAS# 187652-71-7]

Identification

• Name: (2beta,3alpha,5alpha)-21-Chloro-3-Hydroxy-2-(4-Morpholinyl)Pregnan-20-One
• Synonyms: (2b,3a,5a)-21-Chloro-3-hydroxy-2-(4-morpholinyl)pregnan-20-one; [187652-71-7]; Org 20599
• Molecular Formula: C₂₅H₄₀ClNO₃
• Molecular Weight: 438.04
• CAS Registry Number: 187652-71-7
• SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CCl)CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C
• 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: NZFNABGZEQPYBX-PMBZPZLSSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 544.3±50.0°C at 760 mmHg (Cal.)
• Flash point: 283.0±30.1°C (Cal.)
• Refractive index: 1.546 (Cal.)
• solubility: Soluble to 100 mM in 1eq. HCl and to 100 mM in DMSO