Estradiol Hemihydrate

CAS: 35380-71-3

Ref. 86-MM0300.00-0250

Product Information

• Name: Estradiol Hemihydrate
• Synonyms: Estradiol Benzoate Imp. A (EP), Estradiol Valerate Imp. A (EP), Estriol Imp. D (EP), Ethinylestradiol Imp. D (EP), Estra-1,3,5(10)-triene-3,17-diol (17beta)-, hydrate (2:1) (9CI), beta-Estradiol hemihydrate, beta-Estradiol semihydrate, Estradiol Benzoate Imp. A (EP) as Hemihydrate, Estradiol Valerate Imp. A (EP) as Hemihydrate, Estriol Imp. D (EP) as Hemihydate, Ethinylestradiol Imp. D (EP) as Hemihydrate, Estradiol Benzoate Impurity A as Hemihydrate, Estradiol Valerate Impurity A as Hemihydrate, Estriol Impurity D as Hemihydate, Ethinylestradiol Impurity D as Hemihydrate, (17Beta)-Estra-1,3,5(10)-Triene-3,17-Diol Hydrate (2:1), Estra-1,3,5(10)-triene-3,17-diol (17beta)-, hydrate (2:1), Estra-1,3,5(10)-triene-3,17-diol (17β)-, hydrate (2:1), Estra-1,3,5(10)-triene-3,17beta-diol hydrate (2:1), Estrasorb, Unii-Cxy7B3Q98Z, β-Estradiol hemihydrate, β-Estradiol semihydrate
• Brand: Mikromol

Chemical properties

• Molecular weight: 562.78
• Formula: C₁₈H₂₄O₂·H₂O
• Color/Form: Neat
• InChI: 1H2/t2*14-,15-,16+,17+,18+, InChI=1S/2C18H24O2.H2O/c2*1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20, /h2*3,5,10,14-17,19-20H,2,4,6-9H2,1H3, /m11./s1
• InChI key: InChIKey=OCBZOQHCGFYRSL-UHFFFAOYSA-N
• SMILES: C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O.C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O.O