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Substance Name: Benzoic acid, 2-(((2-(1-pyrrolidinyl)ethyl)amino)carbonyl)-, hydrate
RN: 68654-57-9
InChIKey: LGQWLXQUWODSNU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-N2-O3.H2-O

Molecular Weight

  • 262.3072
 
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Names and Synonyms

Synonyms

  • 2-(((2-(1-Pyrrolidinyl)ethyl)amino)carbonyl)benzoic acid hydrate
  • F 1537
  • N-(2'-Pyrrolidinoethyl)-2-carboxybenzamide hydrate

Systematic Name

  • Benzoic acid, 2-(((2-(1-pyrrolidinyl)ethyl)amino)carbonyl)-, hydrate

Registry Numbers

CAS Registry Number

  • 68654-57-9

System Generated Number

  • 0068654579

Molecular Formulas

Molecular Formula

  • C14-H18-N2-O3.H2-O

Molecular Formula Fragments

  • C14-H18-N2-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C14H18N2O3/c17-13(15-7-10-16-8-3-4-9-16)11-5-1-2-6-12(11)14(18)19/h1-2,5-6H,3-4,7-10H2,(H,15,17)(H,18,19)

InChIKey

LGQWLXQUWODSNU-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C(=O)NCCN2CCCC2)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   United States Patent Document. Vol. #4192883,
mouse LD50 oral 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4192883,