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Substance Name: Pyridinium, 3-mercapto-1-methyl-, bromide, dimethylcarbamate (ester)
RN: 67465-62-7
InChIKey: MGZCKQBTYXZDAX-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H13-N2-O-S.Br

Molecular Weight

  • 277.1847
 
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Names and Synonyms

Synonyms

  • 3-Mercapto-1-methylpyridinium bromide dimethylcarbamate (ester)
  • Ro 1-5440

Systematic Name

  • Pyridinium, 3-mercapto-1-methyl-, bromide, dimethylcarbamate (ester)

Registry Numbers

CAS Registry Number

  • 67465-62-7

System Generated Number

  • 0067465627

Molecular Formulas

Molecular Formula

  • C9-H13-N2-O-S.Br

Molecular Formula Fragments

  • Br
  • C9-H13-N2-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C9H13N2OS.BrH/c1-10(2)9(12)13-8-5-4-6-11(3)7-8;/h4-7H,1-3H3;1H/q+1;/p-1

InChIKey

MGZCKQBTYXZDAX-UHFFFAOYSA-M

Smiles

C[n+]1cccc(c1)SC(=O)N(C)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 121mg/kg (121mg/kg)   Medicinal Chemistry, A Series of Reviews. Vol. 3, Pg. 329, 1956.