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Substance Name: Benzoic acid, 4-bromo-, 4-(dimethylamino)-2-butynyl ester
RN: 130421-63-5
InChIKey: FPIFHWVGBQOFQI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-Br-N-O2

Molecular Weight

  • 296.1626
 
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Names and Synonyms

Synonyms

  • 4-(Dimethylamino)-2-butynyl 4-bromobenzoate
  • BRN 4748492

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 130421-63-5

System Generated Number

  • 0130421635

Structure Descriptors

InChI

1S/C13H14BrNO2/c1-15(2)9-3-4-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,9-10H2,1-2H3

InChIKey

FPIFHWVGBQOFQI-UHFFFAOYSA-N

Smiles

CN(C)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.