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Substance Name: 1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt
RN: 115906-67-7
InChIKey: UGPWTYGUBURSDB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-N4-O5-S.H3-N

Molecular Weight

  • 397.4537
 
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Names and Synonyms

Synonym

  • 2-Methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-1H-imidazole-5-thiol ammonia salt

Systematic Name

  • 1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt

Registry Numbers

CAS Registry Number

  • 115906-67-7

System Generated Number

  • 0115906677

Molecular Formulas

Molecular Formula

  • C16-H20-N4-O5-S.H3-N

Molecular Formula Fragments

  • C16-H20-N4-O5-S
  • COMPONENT
  • H3-N

Structure Descriptors

InChI

1S/C16H20N4O5S.H3N/c1-3-4-5-8-25-14-7-6-12(9-13(14)19(21)22)10-18-11(2)17-15(16(18)26)20(23)24;/h6-7,9,26H,3-5,8,10H2,1-2H3;1H3

InChIKey

UGPWTYGUBURSDB-UHFFFAOYSA-N

Smiles

CCCCCOc1ccc(cc1[N+](=O)[O-])Cn2c(nc(c2[S-])[N+](=O)[O-])C.[NH4+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo unreported 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 287, 1988.