Centchroman Hydrochloride
[CAS# 51023-56-4]

Identification

• Name: Centchroman Hydrochloride
• Synonyms: 1-[2-[4-[(3R,4R)-7-Methoxy-2,2-Dimethyl-3-Phenyl-Chroman-4-Yl]Phenoxy]Ethyl]Pyrrolidine Hydrochloride; 1-[2-[4-[(3R,4R)-7-Methoxy-2,2-Dimethyl-3-Phenyl-4-Chromanyl]Phenoxy]Ethyl]Pyrrolidine Hydrochloride; Pyrrolidine, 1-(2-(4-(3,4-Dihydro-7-Methoxy-2,2-Dimethyl-3-Phenyl-2H-1-Benzopyran-4-Yl)Phenoxy)Ethyl)-, Hydrochloride, Trans-(-)-
• Molecular Formula: C₃₀H₃₆ClNO₃
• Molecular Weight: 494.07
• CAS Registry Number: 51023-56-4
• SMILES: [C@@H]2([C@@H](C1=CC=C(OC)C=C1OC2(C)C)C4=CC=C(OCCN3CCCC3)C=C4)C5=CC=CC=C5.[H+].[Cl-]
• InChI: 1S/C30H35NO3.ClH/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;1H/t28-,29+;/m1./s1
• InChIKey: ZRGUGBSQWQXLHB-XZVFQGBBSA-N

Properties

• Boiling point: 556.3°C at 760 mmHg (Cal.)
• Flash point: 145.6°C (Cal.)