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Substance Name: Isoestradiol 3-benzoate
RN: 6011-90-1
UNII: UBD6G1V336
InChIKey: UYIFTLBWAOGQBI-FCRIMTMASA-N

Molecular Formula

  • C25-H28-O3

Molecular Weight

  • 376.4932
 
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Names and Synonyms

Name of Substance

  • Isoestradiol 3-benzoate

Synonyms

  • (8alpha,17beta)-Estra-1,3,5(10)-triene-3,17-diol, 3-benzoate
  • 8-Isoestradiol, 3-benzoate
  • 8alpha-Estradiol, 3-benzoate
  • Estra-1,3,5(10)-triene-3,17-diol, 3-benzoate, (8alpha,17beta)-
  • Isoestradiol 3-benzoate
  • Isoestradiol 3-benzoate [MI]
  • UNII-UBD6G1V336

Registry Numbers

CAS Registry Number

  • 6011-90-1

FDA UNII

  • UBD6G1V336

System Generated Number

  • 0006011901

Structure Descriptors

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-FCRIMTMASA-N

Smiles

C[C@]12CC[C@@H]3c4ccc(cc4CC[C@@H]3[C@@H]1CC[C@@H]2O)OC(=O)c5ccccc5