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Substance Name: Propionic acid, 2-methyl-2-((17-oxo-1,3,5(10)-estratrien-3-yl)oxy)-
RN: 111825-43-5
InChIKey: OSSPFHPOWGXPTG-XPGIBRRYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-O4

Molecular Weight

  • 344.4482
 
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Names and Synonyms

Synonyms

  • 1,3,5(10)Estratriene-17-one-3-oxo-alpha-isobutyric acid
  • 2-Methyl-2-(17-oxo-1,3,5(10)-estratrien-3-yl)propionic acid
  • 4-08-00-01208 (Beilstein Handbook Reference)
  • Acido 1,3,5(10)estratriene-17-on-3-osso-alpha-isobutirrico
  • Acido 1,3,5(10)estratriene-17-on-3-osso-alpha-isobutirrico [Italian]
  • BRN 3170020

Systematic Name

  • Propionic acid, 2-methyl-2-((17-oxo-1,3,5(10)-estratrien-3-yl)oxy)-

Registry Numbers

CAS Registry Number

  • 111825-43-5

System Generated Number

  • 0111825435

Structure Descriptors

InChI

1S/C21H28O4/c1-20(2,19(22)23)25-14-5-7-15-13(12-14)4-6-17-16(15)8-10-21(3)18(17)9-11-24-21/h5,7,12,16-18H,4,6,8-11H2,1-3H3,(H,22,23)/t16?,17?,18?,21-/m0/s1

InChIKey

OSSPFHPOWGXPTG-XPGIBRRYSA-N

Smiles

C[C@]12CCC3c4ccc(cc4CCC3C1CCO2)OC(C)(C)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo intravenous 50mg/kg (50mg/kg)   Farmaco, Edizione Scientifica. Vol. 9, Pg. 166, 1954.