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Substance Name: Benzoic acid, 2-(aminosulfonyl)-, methyl ester
RN: 57683-71-3
InChIKey: VSOOBQALJVLTBH-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C8-H9-N-O4-S

Molecular Weight

  • 215.228
 
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Names and Synonyms

Synonyms

  • 0-11-00-00377 (Beilstein Handbook Reference)
  • 2-Sulfamoylbenzoic acid methyl ester
  • BRN 2728611
  • EINECS 260-903-2

Systematic Names

  • Benzoic acid, 2-(aminosulfonyl)-, methyl ester
  • Benzoic acid, 2-sulfamoyl-, methyl ester
  • Methyl o-sulphamoylbenzoate

Registry Numbers

CAS Registry Number

  • 57683-71-3

System Generated Number

  • 0057683713

Structure Descriptors

InChI

1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)

InChIKey

VSOOBQALJVLTBH-UHFFFAOYSA-N

Smiles

c1(c(cccc1)S(N)(=O)=O)C(OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg) MUSCULOSKELETAL: OTHER CHANGES

BEHAVIORAL: ATAXIA
Pharmaceutical Chemistry Journal Vol. 13, Pg. 144, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.01 (none)   EXP

Physical property data is provided to ChemIDplus by SRC, Inc.