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Substance Name: Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate
RN: 63869-36-3
InChIKey: SJTMUPFIWQTRER-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-N2-O3-S2

Molecular Weight

  • 288.39
 
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Names and Synonyms

Synonyms

  • NSC 187526
  • S-((N-(3,4-Dimethylbenzyl)amidino)methyl) hydrogen thiosulfate

Systematic Name

  • Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate

Registry Numbers

CAS Registry Number

  • 63869-36-3

System Generated Number

  • 0063869363

Structure Descriptors

InChI

1S/C11H16N2O3S2/c1-8-3-4-10(5-9(8)2)6-13-11(12)7-17-18(14,15)16/h3-5H,6-7H2,1-2H3,(H2,12,13)(H,14,15,16)

InChIKey

SJTMUPFIWQTRER-UHFFFAOYSA-N

Smiles

S(SCC(=N)NCc1cc(C)c(cc1)C)(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.
mouse LD50 oral 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.