Estradiol Hemihydrate
bis((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol);hydrate
Molecular Identity
Estradiol Hemihydrate
bis((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol);hydrate
PubChem CID: 154274
2D Structure
Properties
C36H50O5
Molecular Formula
562.80
Molecular Weight
g/mol
562.3658
Exact Mass
Da
81.9
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
5
H-Bond Acceptors
382
Complexity
SMILES
Canonical SMILES
SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O.CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O.OIsomeric SMILES
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.OSynonyms(20)
ESTRADIOL HEMIHYDRATE35380-71-3CXY7B3Q98ZEstrasorbMYFEMBREE COMPONENT ESTRADIOL HEMIHYDRATERefChem:5513717b-Estradiolbeta-Estradiol semihydrate(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;hydrateEstrasorb (TN)beta-Estradiol hemihydrateUNII-CXY7B3Q98ZEstra-1,3,5(10)-triene-3,17beta-diol hydrate (2:1)Estradiol hemihydrate CRSSCHEMBL37532
Data from PubChem (NCBI)
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Drug Network
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