MW: 376.5
CAS: 50-50-0
TNP NUMBER: TNP00604
MDL NUMBER: MFCD03548267
IUPAC: (1S,11S,14S,15S,10R)-14-hydroxy-15-methyltetracyclo[8.7.0.0<2,7>.0<11,15>]hept adeca-2,4,6-trien-5-yl benzoate
Smiles: c12[C@H]3(CC[C]4([C@H]([C@@H]3(CCc1cc(OC(=O)c1ccccc1)cc2))(CC[C@@H]4O))C)
THERAPEUTIC CATEGORY: Estrogen
ACCEPTORS: 3
DONORS: 1
ROTATION BONDS: 2
N+O: 3
Chiral Centers: 5
LogP: 8.13
LogS: -6.21
LIPINSKI: 3
Synonyms: (17beta)-Estra-1,3,5(10)-triene-3,17-diol 3-benzoate;1,3,5(10)-Estratriene-3,17-diol-3-benzoate;1,3,5(10)-Oestratriene-3,17-beta-diol 3-benzoate;1,3,5(10)-oestratriene-3,17-beta-diol3-benzoate;17beta-Estradiol monobenzoate;17-beta-estradiolmonobenzoate;17-beta-Oestradiol 3-benzoate;17-beta-oestradiol3-benzoate
CAS:50-50-0
MF:C25H28O3
MW:376.49
EINECS:200-043-7
Product Categories:Hormone;Biochemistry;Hydroxysteroids;Steroids Estradiol benzoate
Chemical Properties: mp 191-198 C(lit.) Merck 3703
CAS DataBase Reference: 50-50-0(
CAS DataBase Reference: ) NIST Chemistry ReferenceEstradiol benzoate(50-50-0) T Risk Statements 60-61-40 Safety Statements 53-22-36/37/39-45 WGK Germany 3 RTECS KG4050000 F 8 Hazardous Substances Data50-50-0(Hazardous Substances Data) 1,3,5(10)-Estratriene-3,17b-diol 3-benzoate Estradiol benzoate
Usage And Synthesis: Estradiol benzoate
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