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Substance Name: Estradiol benzoate [USP:INN:BAN:JAN]
RN: 50-50-0
UNII: 1S4CJB5ZGN
InChIKey: UYIFTLBWAOGQBI-BZDYCCQFSA-N

Molecular Formula

  • C25-H28-O3

Molecular Weight

  • 376.4932
 

Classification Codes

  • Antiviral (COVID-19)
  • Contraceptive Agents
  • Contraceptive Agents, Hormonal
  • Drug / Therapeutic Agent
  • Hormone
  • Human Data
  • Mutation Data
  • Reproductive Control Agents
  • Reproductive Effect
  • Tumor Data
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Names and Synonyms

Name of Substance

  • Estradiol 3-benzoate
  • Estradiol benzoate [USP:INN:BAN:JAN]

Synonyms

  • 17-beta-Estradiol 3-benzoate
  • 17-beta-Estradiol benzoate
  • 17-beta-Oestradiol 3-benzoate
  • 17beta-Estradiol 3-benzoate
  • 17beta-Estradiol monobenzoate
  • 4-09-00-00406 (Beilstein Handbook Reference)
  • Agofollin Depot
  • AI3-52465
  • Benovocylin
  • Benzhormovarine
  • Benzo-Gineostril
  • Benzo-Ginestryl
  • Benzo-Gynoestryl
  • Benzoate d'estradiol
  • Benzoate d'estradiol [INN-French]
  • Benzoate d'oestradiol
  • Benzoate d'oestradiol [French]
  • Benzoato de estradiol
  • Benzoato de estradiol [INN-Spanish]
  • Benzoestrofol
  • Benzofoline
  • Benzoic acid estradiol
  • Benztrone
  • BRN 3107526
  • CCRIS 281
  • De graafina
  • Diffollisterol
  • Difolliculine
  • Dihydrofolliculine benzoate
  • Dimenformon benzoate
  • Diogyn B
  • EBZ
  • EINECS 200-043-7
  • Eston-B
  • Estra-1,3,5(10)-triene-3,17-beta-diol, 3-benzoate
  • Estra-1,3,5(10)-triene-3,17-diol (17-beta)-3-benzoate
  • Estra-1,3,5(10)-triene-3,17beta-diol, 3-benzoate
  • Estradiol 3-benzoate
  • Estradiol benzoate
  • Estradiol benzoate (VAN)
  • Estradiol monobenzoate
  • Estradiol-17-beta-3-benzoate
  • Estradiol-17beta 3-benzoate
  • Estradioli benzoas
  • Estradioli benzoas [INN-Latin]
  • Estradiolo Amsa
  • Estradiolo benzoato
  • Estradiolo benzoato [DCIT]
  • Femestrone
  • Follicormon
  • Follidrin
  • Graafina
  • Gynecormone
  • Gynecormone Gouttes
  • Gynformone
  • Hidroestron
  • Hormogynon
  • Metroval
  • NSC 9566
  • Oestradiol 3-benzoate
  • Oestradiol monobenzoate
  • Oestradioli benzoas
  • Oestradiolum benzoicum
  • Oestradiolum benzoylatum
  • Oestraform (BDH)
  • Ostrin
  • Ovahormon benzoate
  • Ovasterol-B
  • Ovocyclin benzoate
  • Ovocyclin M
  • Ovocyclin-MB
  • Primogyn B
  • Primogyn B oleosum
  • Primogyn I
  • Progynon B
  • Progynon benzoate
  • Recthormone oestradiol
  • Reglovar
  • Solestro
  • UNII-1S4CJB5ZGN
  • Unistradiol

Systematic Names

  • Estra-1,3,5(10)-triene-3,17-diol, (17beta)-, 3-benzoate
  • Estradiol benzoate
  • Estradiol, 3-benzoate

Superlist Name

  • Oestradiol 3-benzoate

Registry Numbers

CAS Registry Number

  • 50-50-0

FDA UNII

  • 1S4CJB5ZGN

System Generated Number

  • 0000050500

Structure Descriptors

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

Smiles

C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CC[C@@H]2O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 196 deg C   EXP
log P (octanol-water) 5.470 (none)   EST
Atmospheric OH Rate Constant 3.07E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.