Estradiol benzoate

CAS Registry Number®

50-50-0

CAS Name

Estradiol benzoate

Molecular Formula

C25H28O3

Molecular Mass

376.49

Cite this Page

Estradiol benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50-50-0 (retrieved 2024-11-21) (CAS RN: 50-50-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    196 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

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

InChIKey=UYIFTLBWAOGQBI-BZDYCCQFSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC(=O)C5=CC=CC=C5)=CC4)(CC1)[H])[H])(CC[C@@H]2O)[H]

Canonical SMILES

O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(O)CCC34)C=5C=CC=CC5

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate
  • Estradiol, 3-benzoate
  • Benovocylin
  • Benzhormovarine
  • Benzoestrofol

View All

Deleted or Replaced CAS Registry Numbers

1713228-24-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration