Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, 4-bromo-, 4-(dihexylamino)-2-butynyl ester
RN: 130444-11-0
InChIKey: ITOCWWFNHVQLBN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H34-Br-N-O2

Molecular Weight

  • 436.4306
 
* 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

  • 4-(Dihexylamino)-2-butynyl 4-bromobenzoate
  • BRN 4759181

Systematic Name

  • Benzoic acid, 4-bromo-, 4-(dihexylamino)-2-butynyl ester

Registry Numbers

CAS Registry Number

  • 130444-11-0

System Generated Number

  • 0130444110

Structure Descriptors

InChI

1S/C23H34BrNO2/c1-3-5-7-9-17-25(18-10-8-6-4-2)19-11-12-20-27-23(26)21-13-15-22(24)16-14-21/h13-16H,3-10,17-20H2,1-2H3

InChIKey

ITOCWWFNHVQLBN-UHFFFAOYSA-N

Smiles

CCCCCCN(CCCCCC)CC#CCOC(=O)c1ccc(cc1)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD subcutaneous > 1500mg/kg (1500mg/kg)   Pharmaceutical Chemistry Journal Vol. 24, Pg. 560, 1990.