Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Cycloheptanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester
RN: 20929-99-1
InChIKey: IQLOSBYZJUGSKB-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Tumor Data

Molecular Formula

  • C23-H23-F2-N-O2

Molecular Weight

  • 383.436
 
* 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

Synonyms

  • 1,1-Bis(4-fluorophenyl)-2-propynyl N-cycloheptylcarbamate
  • BRN 3109398

Systematic Name

  • Cycloheptanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester

Registry Numbers

CAS Registry Number

  • 20929-99-1

System Generated Number

  • 0020929991

Structure Descriptors

InChI

1S/C23H23F2NO2/c1-2-23(17-9-13-19(24)14-10-17,18-11-15-20(25)16-12-18)28-22(27)26-21-7-5-3-4-6-8-21/h1,9-16,21H,3-8H2,(H,26,27)

InChIKey

IQLOSBYZJUGSKB-UHFFFAOYSA-N

Smiles

C(c1ccc(F)cc1)(c1ccc(F)cc1)(OC(NC1CCCCCC1)=O)C#C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 307mg/kg (307mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1155, 1968.
mouse LD50 oral 405mg/kg (405mg/kg)   Personal Communication from P.N. Harris, Eli Lily Co., Greenfield, IN 46140. Oct. 21, 1974Vol. 21OCT1974,
rat LD50 intraperitoneal 215mg/kg (215mg/kg)   Personal Communication from P.N. Harris, Eli Lily Co., Greenfield, IN 46140. Oct. 21, 1974Vol. 21OCT1974,