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Substance Name: 1,2-Propanediol, 2-(1-methyl-2-nitro-1H-imidazol-5-yl)-
RN: 64186-56-7
InChIKey: VOPHBLDEDGYMME-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H11-N3-O4

Molecular Weight

  • 201.1809
 
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Names and Synonyms

Synonyms

  • 2-(1-Methyl-2-nitro-1H-imidazol-5-yl)-1,2-propanediol
  • 5-(1,2-Dihydroxy-1-methylethyl)-1-methyl-2-nitro-1H-imidazole
  • 5-23-13-00117 (Beilstein Handbook Reference)
  • BRN 0795355

Systematic Name

  • 1,2-Propanediol, 2-(1-methyl-2-nitro-1H-imidazol-5-yl)-

Registry Numbers

CAS Registry Number

  • 64186-56-7

System Generated Number

  • 0064186567

Structure Descriptors

InChI

1S/C7H11N3O4/c1-7(12,4-11)5-3-8-6(9(5)2)10(13)14/h3,11-12H,4H2,1-2H3

InChIKey

VOPHBLDEDGYMME-UHFFFAOYSA-N

Smiles

Cn1c(ncc1C(C)(O)CO)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 1522, 1977.