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31477-60-8

Basic Information
CAS No.: 31477-60-8
Name: Centchroman
Molecular Structure:
Molecular Structure of 31477-60-8 (Centchroman)
Formula: C30H35 N O3
Molecular Weight: 457.66
Synonyms: Pyrrolidine,1-[2-[4-(3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy]ethyl]-,trans-; Pyrrolidine,1-[2-[p-(7-methoxy-2,2-dimethyl-3-phenyl-4-chromanyl)phenoxy]ethyl]-, trans-(8CI);1-[2-[p-(trans-7-Methoxy-2,2-dimethyl-3-phenyl-4-chromanyl)phenoxy]ethyl]pyrrolidine;3,4-trans-2,2-Dimethyl-3-phenyl-4-[p-(b-pyrrolidinoethoxy)phenyl]-7-methoxychroman; 67/20;Centchroman; Ormeloxifene; trans-Centchroman
Density: 1.104g/cm3
Melting Point: 99-101°
Boiling Point: 556.3ºC at 760 mmHg
Flash Point: 145.6ºC
Safety: Human reproductive effects by ingestion: impaired spermatogenesis. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
PSA: 30.93000
LogP: 6.19440
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Chemistry

IUPAC Name: 1-[2-[4-[(3R,4R)-7-Methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl]phenoxy]ethyl]pyrrolidine
Synonyms of Centchroman (CAS NO.31477-60-8) : (- )-1-(2-(p-(trans-7-Methoxy-2,2-dimethyl-3-phenyl-4-chromanyl)phenoxy)ethyl)pyrrolidine ; 1-(2-{4-[(3R,4R)-7-Methoxy-2,2-dimethyl-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy}ethyl)pyrrolidine ; Ormeloxifene [INN] ; Pyrrolidine, 1-[2-[4-[(3R,4R)-3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl]phenoxy]ethyl]- ; Rel-1-[2-[4-[(3R,4R)-3,4-Dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl]phenoxy]ethyl]pyrrolidine ; trans-Centchroman
InChI:InChI=1/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
CAS NO:31477-60-8
Molecular Formula:C30H35NO                                                 
Molecular Weight :457.6038  
Molecular Structure :
Index of Refraction:1.571       
Surface Tension: 40.8 dyne/cm 
Density: 1.104 g/cm3 
Flash Point: 145.6 °C 
Enthalpy of Vaporization: 83.79 kJ/mol 
Boiling Point: 556.3 °C at 760 mmHg 
Vapour Pressure: 2.05E-12 mmHg at 25°C 

Uses

 Centchroman (CAS NO.31477-60-8) may be used as a contraceptive or as a treatment for dysfunctional uterine bleeding.

 Centchroman (CAS NO.31477-60-8) has also been proposed as a treatment for menorrhagia.

 Centchroman (CAS NO.31477-60-8) use in treatment of mastalgia and fibroadenoma has also been described.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Human reproductive effects by ingestion: impaired spermatogenesis. Experimental reproductive effects. When Centchroman (CAS NO.31477-60-8) is heated to decomposition ,it emits toxic fumes of NOx.