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Substance Name: WR 2529
RN: 1030-84-8
InChIKey: VKWZCEGDRJOLKT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H8-O3-S.C5-H12-N2-O-S

Molecular Weight

  • 320.432
 
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Names and Synonyms

Results Name

  • WR 2529

Synonyms

  • 3-((2-Mercaptoethyl)amino)propanamide mono(4-methylbenzenesulfonate) (salt)
  • 3-(2-Mercaptoethyl)aminopropionamide tosylate
  • WR 2529

Systematic Names

  • Propanamide, 3-((2-mercaptoethyl)amino)-, mono(4-methylbenzenesulfonate) (salt)
  • Propionamide, 3-((2-mercaptoethyl)amino)-, mono-p-toluenesulfonate (salt) (8CI)

Registry Numbers

CAS Registry Number

  • 1030-84-8

Related Registry Number

  • 29488-63-9 (Parent)

System Generated Number

  • 0001030848

Molecular Formulas

Molecular Formula

  • C7-H8-O3-S.C5-H12-N2-O-S

Molecular Formula Fragments

  • C5-H12-N2-O-S
  • C7-H8-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C7H8O3S.C5H12N2OS/c1-6-2-4-7(5-3-6)11(8,9)10;6-5(8)1-2-7-3-4-9/h2-5H,1H3,(H,8,9,10);7,9H,1-4H2,(H2,6,8)

InChIKey

VKWZCEGDRJOLKT-UHFFFAOYSA-N

Smiles

C(CC(N)=O)NCCS.c1(ccc(cc1)S(=O)(=O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 857, 1989.
mouse LD50 oral > 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 857, 1989.