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Substance Name: Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro-
RN: 104519-28-0
InChIKey: DZIRTOUFZBECHD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-Cl-N3-S

Molecular Weight

  • 319.858
 
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Names and Synonyms

Synonyms

  • 2-(4'-Butyl-3',5'-dimethylpyrazol-1'-yl)-6-chlorobenzothiazole
  • BRN 5594839

Systematic Name

  • Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro-

Registry Numbers

CAS Registry Number

  • 104519-28-0

System Generated Number

  • 0104519280

Structure Descriptors

InChI

1S/C16H18ClN3S/c1-4-5-6-13-10(2)19-20(11(13)3)16-18-14-8-7-12(17)9-15(14)21-16/h7-9H,4-6H2,1-3H3

InChIKey

DZIRTOUFZBECHD-UHFFFAOYSA-N

Smiles

c1(n2c(c(CCCC)c(n2)C)C)nc2ccc(cc2s1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 25, Pg. 288, 1986.