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Substance Name: Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL-
RN: 26885-64-3
InChIKey: HGUGGLQXBRPLNG-LLVKDONJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H17-N-O5-S2

Molecular Weight

  • 343.422
 
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Names and Synonyms

Synonyms

  • BRN 3993384
  • DL-o-((2-Acetamido-2-carboxy-1,1-dimethylethyl)dithio)benzoic acid

Systematic Name

  • Benzoic acid, o-((2-acetamido-2-carboxy-1,1-dimethylethyl)dithio)-, DL-

Registry Numbers

CAS Registry Number

  • 26885-64-3

System Generated Number

  • 0026885643

Structure Descriptors

InChI

1S/C14H17NO5S2/c1-8(16)15-11(13(19)20)14(2,3)22-21-10-7-5-4-6-9(10)12(17)18/h4-7,11H,1-3H3,(H,15,16)(H,17,18)(H,19,20)/t11-/m1/s1

InChIKey

HGUGGLQXBRPLNG-LLVKDONJSA-N

Smiles

C([C@@H](NC(=O)C)C(C)(C)SSc1c(cccc1)C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 868, 1971.