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Substance Name: Benzoic acid, 2-(2-aminoethyldithio)-, inner salt
RN: 1204-52-0
InChIKey: MDWMGDVMLUFHTD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H11-N-O2-S2

Molecular Weight

  • 229.323
 
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Names and Synonyms

Synonym

  • 2-(2-Aminoethyldithio)benzoic acid inner salt

Systematic Name

  • Benzoic acid, 2-(2-aminoethyldithio)-, inner salt

Registry Numbers

CAS Registry Number

  • 1204-52-0

System Generated Number

  • 0001204520

Structure Descriptors

InChI

1S/C9H11NO2S2/c10-5-6-13-14-8-4-2-1-3-7(8)9(11)12/h1-4H,5-6,10H2,(H,11,12)

InChIKey

MDWMGDVMLUFHTD-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C(=O)[O-])SSCC[NH3+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 325mg/kg (325mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 317, 1970.