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Substance Name: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(phenylmethyl)-5-tricyclo(3.3.1.1(sup 3,7))dec-yl-
RN: 139158-26-2
InChIKey: RBJPSQKOKOVTKU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N3-S

Molecular Weight

  • 325.478
 
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Names and Synonyms

Synonyms

  • 2,4-Dihydro-4-(phenylmethyl)-5-tricyclo(3.3.1.1(sup 3,7))dec-yl-3H-1,2,4-triazole-3-thione
  • 3-(1-Adamantyl)-4-benzyl-5-mercapto-1,2,4-triazole
  • BRN 4882005

Systematic Name

  • 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(phenylmethyl)-5-tricyclo(3.3.1.1(sup 3,7))dec-yl-

Registry Numbers

CAS Registry Number

  • 139158-26-2

System Generated Number

  • 0139158262

Structure Descriptors

InChI

1S/C19H23N3S/c23-18-21-20-17(22(18)12-13-4-2-1-3-5-13)19-9-14-6-15(10-19)8-16(7-14)11-19/h1-5,14-16H,6-12H2,(H,21,23)

InChIKey

RBJPSQKOKOVTKU-UHFFFAOYSA-N

Smiles

C1C2CC3(c4n[nH]c(n4Cc4ccccc4)=S)CC1CC(C3)C2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2820mg/kg (2820mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 41, Pg. 1260, 1991.