Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Estradiol-3-benzoate-17-n-butyrate
RN: 63042-18-2
InChIKey: MKYFGNOOEKZNPW-ZRJUGLEFSA-N

Molecular Formula

  • C29-H34-O4

Molecular Weight

  • 446.584
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Estradiol-3-benzoate-17-n-butyrate

Synonym

  • EINECS 263-807-9

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 63042-18-2

System Generated Number

  • 0063042182

Structure Descriptors

InChI

1S/C29H34O4/c1-3-7-27(30)33-26-15-14-25-24-12-10-20-18-21(32-28(31)19-8-5-4-6-9-19)11-13-22(20)23(24)16-17-29(25,26)2/h4-6,8-9,11,13,18,23-26H,3,7,10,12,14-17H2,1-2H3/t23-,24-,25+,26+,29+/m1/s1

InChIKey

MKYFGNOOEKZNPW-ZRJUGLEFSA-N

Smiles

c1cc2c(cc1OC(c1ccccc1)=O)CC[C@@H]1[C@@H]2CC[C@@]2([C@@H](OC(CCC)=O)CC[C@@H]12)C