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Substance Name: 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-5-iodo-2-methyl-4-nitro-
RN: 16781-81-0
InChIKey: ZRFRHNXTIRSYSG-UHFFFAOYSA-N

Molecular Formula

  • C7-H9-Cl-I-N3-O3

Molecular Weight

  • 345.519
 
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Names and Synonyms

Synonyms

  • 1-(3-Chloro-2-hydroxypropyl)-4-iodo-2-methyl-5-nitroimidazole
  • 5-23-05-00088 (Beilstein Handbook Reference)
  • BRN 0618263

Systematic Name

  • 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-5-iodo-2-methyl-4-nitro-

Registry Numbers

CAS Registry Number

  • 16781-81-0

System Generated Number

  • 0016781810

Structure Descriptors

InChI

1S/C7H9ClIN3O3/c1-4-10-6(9)7(12(14)15)11(4)3-5(13)2-8/h5,13H,2-3H2,1H3

InChIKey

ZRFRHNXTIRSYSG-UHFFFAOYSA-N

Smiles

c1(n(c(C)nc1I)C[C@@H](O)CCl)[N+]([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 354mg/kg (354mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 109, 1974.
mouse LD50 oral 901mg/kg (901mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 109, 1974.