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Substance Name: Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)- (9CI)
RN: 22893-29-4
InChIKey: CNBZFYQGTRTWSM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H15-Cl-N2-O4-S

Molecular Weight

  • 306.768
 
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Names and Synonyms

Synonyms

  • 3-(Butylamino)-4-chloro-5-sulfamoylbenzoic acid
  • BRN 2761869
  • HH 562
  • N-Butyl-4-chloro-5-sulfamylmetanilic acid

Systematic Names

  • Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)- (9CI)
  • Benzoic acid, 3-(butylamino)-4-chloro-5-sulfamoyl-

Registry Numbers

CAS Registry Number

  • 22893-29-4

System Generated Number

  • 0022893294

Structure Descriptors

InChI

1S/C11H15ClN2O4S/c1-2-3-4-14-8-5-7(11(15)16)6-9(10(8)12)19(13,17)18/h5-6,14H,2-4H2,1H3,(H,15,16)(H2,13,17,18)

InChIKey

CNBZFYQGTRTWSM-UHFFFAOYSA-N

Smiles

C(c1cc(c(c(c1)NCCCC)Cl)S(=O)(=O)N)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1071, 1970.
mouse LD50 intravenous 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #3560617,
mouse LD50 oral 2gm/kg (2000mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1071, 1970.