Properties
Canonical smiles
CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5
Chemical formula
C₂₅H₂₈O₃
Has active ingredient
Estradiol Benzoate
Isomeric smiles
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5
Mass
+376.203845
Stereoisomer of
benzoic acid (17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) ester, isoestradiol 3-benzoate, α-estradiol 3-benzoate
World health organisation international non-proprietary name
estradiol benzoate
External References (28)
Cas registry number
50-50-0
Chebi id
77006
Chembl id
CHEMBL282575
Chemspider id
193412
Drugbank id
DB13953
Drugcentral id
1058
Dsstox compound identifier
DTXCID902998
Dsstox substance id
DTXSID9022998
Ec number
200-043-7
Echa substance infocard id
100.000.040
Freebase id
/m/0jwzjnm
Inchi
InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1
Inchikey
UYIFTLBWAOGQBI-BZDYCCQFSA-N
J-global id
200907079469066954
Kegg id
C13444, D01953
Mesh descriptor id
C074283
Microsoft academic id (discontinued)
2778506572
National drug code
24823-902, 60722-3023, 12866-1019
Nikkaji id
J4.439C
Nsc number
9566, 757881
Openalex id
C2778506572
Probes and drugs id
PD012021
Pubchem cid
222757
Reaxys registry number
3107526
Rxnorm cui
60661
Surechembl id
174896
Unichem compound id
315550
Unii
1S4CJB5ZGN
🏷️ Also known as
en oestradiol benzoate
en oestradiol monobenzoate
en 17-beta-Estradiol 3-benzoate
en 17beta-estradiol monobenzoate
en [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
en beta-estradiol 3-benzoate
en Eston-B
en estra-1,3,5(10)-triene-3,17beta-diol 3-benzoate
en estradiol 3-benzoate
en estradiol benzoate
en estradiol monobenzoate
en oestradiol 3-benzoate
de Estradiolbenzoat
de Östradiolbenzoat
fr benzoate d'estradiol
ja オバホルモン
ja 安息香酸エストラジオール
pl benzoesan estradiolu
zh 苯甲酸雌二醇