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Substance Name: Benzoic acid, 4-(((1-ethyl-2-pyrrolidinylidene)amino)sulfonyl)-, methyl ester
RN: 126826-56-0
InChIKey: MGQOEFFHPBKNKJ-SQFISAMPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-N2-O4-S

Molecular Weight

  • 310.3722
 
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Names and Synonyms

Synonym

  • Methyl 4-(((1-ethyl-2-pyrrolidinylidene)amino)sulfonyl)benzoate

Systematic Name

  • Benzoic acid, 4-(((1-ethyl-2-pyrrolidinylidene)amino)sulfonyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 126826-56-0

System Generated Number

  • 0126826560

Structure Descriptors

InChI

1S/C14H18N2O4S/c1-3-16-10-4-5-13(16)15-21(18,19)12-8-6-11(7-9-12)14(17)20-2/h6-9H,3-5,10H2,1-2H3/b15-13-

InChIKey

MGQOEFFHPBKNKJ-SQFISAMPSA-N

Smiles

CCN\1CCC/C1=N/S(=O)(=O)c2ccc(cc2)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 28, Pg. 1034, 1989.