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51023-56-4

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Basic Information
CAS No.: 51023-56-4
Name: CENTCHROMAN HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 51023-56-4 (CENTCHROMAN HYDROCHLORIDE)
Formula: C30H35 N O3 . Cl H
Molecular Weight: 494.074
Synonyms: Pyrrolidine,1-[2-[4-(3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy]ethyl]-,hydrochloride, trans-;1-[2-[p-(trans-7-Methoxy-2,2-dimethyl-3-phenyl-4-chromanyl)phenoxy]ethyl]pyrrolidinehydrochloride; 67/20CDRI; CDRI 67/20; Centchroman hydrochloride; Ormeloxifenehydrochloride; trans-2,2-Dimethyl-3-phenyl-4-p-(b-pyrrolidinoethoxy)phenyl-7-methoxychromanhydrochloride
Density: 1.104g/cm3
Melting Point: 165-166°
Boiling Point: 556.3°Cat760mmHg
Flash Point: 145.6°C
Safety: Poison by intraperitoneal route. Moderately toxic by ingestion. Experimental reproductive effects. When heated to decomposition it emits very toxic fumes of NOx and HCl.
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 hydrochloride
Synonyms of Centchroman hydrochloride (CAS NO.51023-56-4) : 3,4-trans-2,2-Dimethyl-3-phenyl-4-p-(beta-pyrrolidinoethoxy)phenyl-7-methoxychroman HCl ; Centchroman hydrochloride ; Chroman, 3,4-trans-2,2-dimethyl-3-phenyl-4-p-(beta-pyrrolidinoethoxy)phenyl-7-methoxy-, hydrochloride ; Pyrrolidine, 1-(2-(4-(3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)ethyl)-, hydrochloride, trans-(-)-
InChI:InChI=1/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
CAS NO:51023-56-4
023-56-4 Molecular Formula:C30H36ClNO3                                                  
Molecular Weight :494.0647  
Molecular Structure :
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 

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION		 Indian Journal of Experimental Biology. Vol. 15, Pg. 1159, 1977.
mouse LDLo oral 1600mg/kg (1600mg/kg)   Indian Journal of Experimental Biology. Vol. 15, Pg. 1159, 1977.
rat LDLo oral 1600mg/kg (1600mg/kg)   Indian Journal of Experimental Biology. Vol. 15, Pg. 1159, 1977.

Safety Profile

 Centchroman hydrochloride (CAS NO.51023-56-4) is poisonous by intraperitoneal route. Moderately toxic by ingestion. Experimental reproductive effects. When Centchroman hydrochloride (CAS NO.51023-56-4) is heated to decomposition, it emits very toxic fumes of NOx and HCl.