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Substance Name: Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester)
RN: 40283-98-5
InChIKey: RVIZCXZRYPJRIC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-N2-O3-S3

Molecular Weight

  • 320.4564
 
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Names and Synonyms

Synonym

  • S-((N-(2-Benzylthioethyl)amidino)methyl) hydrogen thiosulfate

Systematic Name

  • Methanethiol, N-(2-benzylthioethyl)amidino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 40283-98-5

System Generated Number

  • 0040283985

Structure Descriptors

InChI

1S/C11H16N2O3S3/c12-11(9-18-19(14,15)16)13-6-7-17-8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,12,13)(H,14,15,16)

InChIKey

RVIZCXZRYPJRIC-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CSCCNC(=N)CSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 95mg/kg (95mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.
mouse LD50 oral 110mg/kg (110mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.