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Substance Name: Benzoic acid, 4-bromo-, 4-(dibutylamino)-2-butynyl ester
RN: 130421-65-7
InChIKey: MDCVXLAINGCXCI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H26-Br-N-O2

Molecular Weight

  • 380.3234
 
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Names and Synonyms

Synonyms

  • 4-(Dibutylamino)-2-butynyl 4-bromobenzoate
  • BRN 4755213

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 130421-65-7

System Generated Number

  • 0130421657

Structure Descriptors

InChI

1S/C19H26BrNO2/c1-3-5-13-21(14-6-4-2)15-7-8-16-23-19(22)17-9-11-18(20)12-10-17/h9-12H,3-6,13-16H2,1-2H3

InChIKey

MDCVXLAINGCXCI-UHFFFAOYSA-N

Smiles

CCCCN(CCCC)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.