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Substance Name: 2-Propanol, 1-methoxy-3-((2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-1H-imidazol-5-yl)thio)-
RN: 115906-44-0
InChIKey: AWUCRYUMMCHQFI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H28-N4-O7-S

Molecular Weight

  • 468.5282
 
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Names and Synonyms

Synonyms

  • BRN 5675566
  • RTECS UG1988000

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 115906-44-0

System Generated Number

  • 0115906440

Structure Descriptors

InChI

1S/C20H28N4O7S/c1-4-5-6-9-31-18-8-7-15(10-17(18)23(26)27)11-22-14(2)21-19(24(28)29)20(22)32-13-16(25)12-30-3/h7-8,10,16,25H,4-6,9,11-13H2,1-3H3

InChIKey

AWUCRYUMMCHQFI-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal > 2500mg/kg (2500mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 287, 1988.