Centchroman
[CAS# 31477-60-8]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyran compound
• Name: Centchroman
• Synonyms: 1-[2-[4-[(3R,4R)-7-Methoxy-2,2-Dimethyl-3-Phenyl-Chroman-4-Yl]Phenoxy]Ethyl]Pyrrolidine; 1-[2-[4-[(3R,4R)-7-Methoxy-2,2-Dimethyl-3-Phenyl-4-Chromanyl]Phenoxy]Ethyl]Pyrrolidine; Pyrrolidine, 1-(2-(4-(3,4-Dihydro-7-Methoxy-2,2-Dimethyl-3-Phenyl-2H-1-Benzopyran-4-Yl)Phenoxy)Ethyl)-, Trans-
• Molecular Formula: C₃₀H₃₅NO₃
• Molecular Weight: 457.61
• CAS Registry Number: 31477-60-8
• SMILES: [C@H]1(C3=C(OC([C@H]1C2=CC=CC=C2)(C)C)C=C(OC)C=C3)C4=CC=C(C=C4)OCCN5CCCC5
• InChI: 1S/C30H35NO3/c1-30(2)29(23-9-5-4-6-10-23)28(26-16-15-25(32-3)21-27(26)34-30)22-11-13-24(14-12-22)33-20-19-31-17-7-8-18-31/h4-6,9-16,21,28-29H,7-8,17-20H2,1-3H3/t28-,29+/m1/s1
• InChIKey: XZEUAXYWNKYKPL-WDYNHAJCSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 556.3±50.0°C at 760 mmHg (Cal.)
• Flash point: 145.6±27.3°C (Cal.)