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Substance Name: 2-Propanol, 1-chloro-3-((2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-1H-imidazol-5-yl)thio)-
RN: 115906-50-8
InChIKey: ZPLZEFAREOKDEM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H25-Cl-N4-O6-S

Molecular Weight

  • 472.9475
 
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Names and Synonyms

Synonym

  • BRN 5674723

Systematic Name

  • 2-Propanol, 1-chloro-3-((2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-1H-imidazol-5-yl)thio)-

Registry Numbers

CAS Registry Number

  • 115906-50-8

System Generated Number

  • 0115906508

Structure Descriptors

InChI

1S/C19H25ClN4O6S/c1-3-4-5-8-30-17-7-6-14(9-16(17)23(26)27)11-22-13(2)21-18(24(28)29)19(22)31-12-15(25)10-20/h6-7,9,15,25H,3-5,8,10-12H2,1-2H3

InChIKey

ZPLZEFAREOKDEM-UHFFFAOYSA-N

Smiles

CCCCCOc1ccc(cc1[N+](=O)[O-])Cn2c(nc(c2SCC(CCl)O)[N+](=O)[O-])C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo unreported 1500mg/kg (1500mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 287, 1988.