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Substance Name: Estrone benzoate
RN: 2393-53-5
UNII: O636LYL5W8
InChIKey: HKUKRSLIEVXDMS-APDHKMKFSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Hormone
  • Tumor Data

Molecular Formula

  • C25-H26-O3

Molecular Weight

  • 374.4774
 
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Names and Synonyms

Name of Substance

  • Estrone benzoate

Synonyms

  • 3-(Benzoyloxy)estra-1,3,5(10)-trien-17-one
  • 3-Hydroxyestra-1,3,5(10)-trien-17-one benzoate
  • 4-09-00-00482 (Beilstein Handbook Reference)
  • Benzoate d'oestrone
  • Benzoate d'oestrone [French]
  • BRN 2485026
  • Estrone benzoate
  • Ketohydroxyestrin benzoate
  • Ketohydroxyoestrin benzoate
  • Oestronbenzoat
  • Oestronbenzoat [German]
  • UNII-O636LYL5W8

Systematic Names

  • 3-(Benzoyloxy)estr-1,3,5(10)-trien-17-one
  • Estrone, benzoate

Registry Numbers

CAS Registry Number

  • 2393-53-5

FDA UNII

  • O636LYL5W8

System Generated Number

  • 0002393535

Structure Descriptors

InChI

1S/C25H26O3/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/h2-6,8,10,15,20-22H,7,9,11-14H2,1H3/t20-,21-,22+,25+/m1/s1

InChIKey

HKUKRSLIEVXDMS-APDHKMKFSA-N

Smiles

C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CCC2=O