Centchroman

Base Information

• Chemical Name: Centchroman
• CAS No.: 31477-60-8
• Molecular Formula: C30H35 N O3
• Molecular Weight: 457.66
• UNII: V994WJY688
• DSSTox Substance ID: DTXSID6046844
• Nikkaji Number: J338.733J
• Wikipedia: Ormeloxifene
• Wikidata: Q7103387
• NCI Thesaurus Code: C90722
• ChEMBL ID: CHEMBL284200
• Mol file: 31477-60-8.mol

Synonyms:Ormeloxifene;CENTCHROMAN;Cellulose Sulfate Gel;31477-60-8;Ushercell;9032-43-3;Ormeloxifene, (+)-;78994-25-9;DTXSID6046844;V994WJY688;1-[2-[4-[(3S,4S)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl]phenoxy]ethyl]pyrrolidine;Pyrrolidine, 1-(2-(4-((3S,4S)-3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)ethyl)-;trans-Centchroman;UNII-44AXY5VE90;Sulfocellulose;Sulfate cellulose;NCGC00181100-01;Centron (TN);D-CENTCHROMAN;REL-ORMELOXIFENE;(3S,4S)-Centchroman;(+)-CENTCHROMAN;D0ER8I;Cellulose, hydrogen sulfate;UNII-V994WJY688;CHEMBL284200;SCHEMBL6863582;DTXCID901473968;Tox21_112716;AKOS040745284;CS-O-03407;CAS-31477-60-8;D08301;Q7103387;(trans)-1-[2-[p-(7-methoxy-2,2-dimethyl-3-phenyl-4-chromanyl)phenoxy]ethyl]pyrrolidine;1-(2-(4-((3S,4S)-3,4-DIHYDRO-7-METHOXY-2,2-DIMETHYL-3-PHENYL-2H-1-BENZOPYRAN-4-YL)PHENOXY)ETHYL)PYRROLIDINE;PYRROLIDINE, 1-(2-(4-(3,4-DIHYDRO-7-METHOXY-2,2-DIMETHYL-3-PHENYL-2H-1-BENZOPYRAN-4-YL)PHENOXY)ETHYL)-, (3S-TRANS)-

Chemical Property of Centchroman

Chemical Property:

• Vapor Pressure: 2.05E-12mmHg at 25°C
• Melting Point: 99-101°
• Refractive Index: 1.6310 (estimate)
• Boiling Point: 556.3ºC at 760 mmHg
• PKA: 9.61±0.20(Predicted)
• Flash Point: 145.6ºC
• PSA: 30.93000
• Density: 1.104g/cm3
• LogP: 6.19440
• Storage Temp.: 2-8°C
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 457.26169398
• Heavy Atom Count: 34
• Complexity: 619

Purity/Quality:

98%,99%, ^*data from raw suppliers

Centchroman ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(C(C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCCN4CCCC4)C5=CC=CC=C5)C
• Isomeric SMILES: CC1([C@@H]([C@H](C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCCN4CCCC4)C5=CC=CC=C5)C
• Description: Centchroman is a new, weekly, orally active contraceptive with weak estrogenic and potent antiestrogenic properties.It is reported to be the first non-hormonal, non-steroidal oral contraceptive. Centchroman acts by inhibiting the implantation of fertilized eggs in the uterus. With the exception of longer menstrual cycles, no side effects have been reported. Another indication under study is the treatment of hormone dependent breast cancer.
• Uses: Centchroman is an estrogen antagonist. Centchroman is a synthetic nonsteroidal postcoital antifertility agent.