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Substance Name: Benzoic acid, 3-iodo-, 4-(dimethylamino)-2-butynyl ester
RN: 130421-67-9
InChIKey: JPNCLQATIZYJRU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-I-N-O2

Molecular Weight

  • 343.1586
 
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Names and Synonyms

Synonyms

  • 4-(Dimethylamino)-2-butynyl 3-iodobenzoate
  • BRN 4747631

Systematic Name

  • Benzoic acid, 3-iodo-, 4-(dimethylamino)-2-butynyl ester

Registry Numbers

CAS Registry Number

  • 130421-67-9

System Generated Number

  • 0130421679

Structure Descriptors

InChI

1S/C13H14INO2/c1-15(2)8-3-4-9-17-13(16)11-6-5-7-12(14)10-11/h5-7,10H,8-9H2,1-2H3

InChIKey

JPNCLQATIZYJRU-UHFFFAOYSA-N

Smiles

CN(C)CC#CCOC(=O)c1cccc(c1)I

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.