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Substance Name: Cyclooctanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl ester
RN: 20930-00-1
InChIKey: UNBXFNVXTHLLNJ-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C24-H25-F2-N-O2

Molecular Weight

  • 397.462
 
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Names and Synonyms

Synonyms

  • 1,1-Bis(4-fluorophenyl)-2-propynyl N-cyclooctyl carbamate
  • BRN 3110210

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 20930-00-1

System Generated Number

  • 0020930001

Structure Descriptors

InChI

1S/C24H25F2NO2/c1-2-24(18-10-14-20(25)15-11-18,19-12-16-21(26)17-13-19)29-23(28)27-22-8-6-4-3-5-7-9-22/h1,10-17,22H,3-9H2,(H,27,28)

InChIKey

UNBXFNVXTHLLNJ-UHFFFAOYSA-N

Smiles

c1c(ccc(c1)F)C(OC(NC1CCCCCCC1)=O)(C#C)c1ccc(cc1)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 456mg/kg (456mg/kg)   Personal Communication from P.N. Harris, Eli Lily Co., Greenfield, IN 46140. Oct. 21, 1974Vol. 21OCT1974,
rat LD50 intraperitoneal 617mg/kg (617mg/kg)   Personal Communication from P.N. Harris, Eli Lily Co., Greenfield, IN 46140. Oct. 21, 1974Vol. 21OCT1974,