chempirical

Estradiol benzoate

C25H28O3CAS 50-50-0376.50 g/mol

Open in Covalent MOL file
OOHO
AlcoholEster

Properties

Molecular formula
C25H28O3
Molar mass
376.50 g/mol
Exact mass
376.2038 Da
Melting point
196 °C
logP
5.12Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
50-50-0
SMILES
C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
InChIKey
UYIFTLBWAOGQBI-BZDYCCQFSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

53 names · show all
  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate
  • Estradiol, 3-benzoate
  • Benovocylin
  • Benzhormovarine
  • Benzoestrofol
  • Benzofoline
  • Benzo-gynoestryl
  • De graafina
  • Diffollisterol
  • Difolliculine
  • Dimenformon benzoate
  • Diogyn B
  • Eston B
  • 1,3,5(10)-Estratriene-3,17β-diol 3-benzoate
  • Femestrone
  • Graafina
  • Gynecormone
  • Hidroestron
  • Hormogynon
  • Oestroform [BDH]
  • Ovasterol B
  • Ovocyclin M
  • Ovocyclin benzoate
  • Ovocyclin MB
  • Primogyn B
  • Progynon B
  • Progynon benzoate
  • Recthormone oestradiol
  • Unistradiol
  • Solestro
  • 17β-Estradiol 3-benzoate
  • β-Estradiol 3-benzoate
  • Estradiol monobenzoate
  • β-Estradiol benzoate
  • 3-Benzoyloxy-17β-hydroxyestra-1,3,5(10)-triene
  • Gynformone
  • Ovahormon benzoate
  • Primogyn B oleosum
  • 17β-Estradiol benzoate
  • Folone
  • Agofollin depot
  • Agofollin
  • Benztrone
  • Pelanin benzoate
  • NSC 9566
  • Cidirol
  • Estrogin
  • Mesalin
  • Ric-BE
  • Gonadiol
  • SY Esrone
  • Difolliculin
  • Oestradiol benzoate

Work with Estradiol benzoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Estramustine2998-57-466 % similar Estradiol50-28-260 % similar 17α-Estradiol57-91-060 % similar Estradiol hemihydrate35380-71-357 % similar Dimenformon dipropionate113-38-255 % similar 2-Methoxyestradiol362-07-254 % similar Estra-1,3,5(10)-triene-3,17β-diol 17-acetate1743-60-848 % similar Promestriene39219-28-847 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Etofenprox80844-07-1

Elsewhere

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