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Substance Name: Guanidine, 1-cyclohexyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)-, dihydrate
RN: 71253-70-8
InChIKey: ZIBNROLHTPEXBQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-N6-S2.2H2-O

Molecular Weight

  • 398.5568
 
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Names and Synonyms

  • Guanidine, 1-cyclohexyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)-, dihydrate

Registry Numbers

CAS Registry Number

  • 71253-70-8

System Generated Number

  • 0071253708

Molecular Formulas

Molecular Formula

  • C19-H22-N6-S2.2H2-O

Molecular Formula Fragments

  • C19-H22-N6-S2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H22N6S2/c1-12-11-16(14-9-5-6-10-15(14)20-12)22-17(21-13-7-3-2-4-8-13)23-18-24-25-19(26)27-18/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,25,26)(H2,20,21,22,23,24)

InChIKey

ZIBNROLHTPEXBQ-UHFFFAOYSA-N

Smiles

Cc1cc(c2ccccc2n1)/N=C(\Nc3n[nH]c(=S)s3)/NC4CCCCC4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 13, 1980.