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Substance Name: 1-(2-Hydroxy-3-methyoxypropyl)-2-chloro-4-nitroimidazole
RN: 111119-29-0
UNII: RXK0PPR67Q
InChIKey: VXFYUTQHAIJKMR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H10-Cl-N3-O4

Molecular Weight

  • 235.626
 
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Names and Synonyms

Name of Substance

  • 1-(2-Hydroxy-3-methyoxypropyl)-2-chloro-4-nitroimidazole

Synonyms

  • 1-(2-Hydroxy-3-methoxypropyl)-2-chloro-4-nitro-1H-imidazole
  • 1-(2-Hydroxy-3-methoxypropyl)-2-chloro-4-nitroimidazole
  • 1H-Imidazole-1-ethanol, 2-chloro-alpha-(methoxymethyl)-4-nitro-
  • 2-Chloro-1-(2-hydroxy-3-methoxypropyl)-4-nitroimidazole
  • CCRIS 6425
  • P40
  • RTECS NL5040000
  • UNII-RXK0PPR67Q

Systematic Names

  • 1-(2-Hydroxy-3-methoxypropyl)-2-chloro-4-nitroimidazole
  • 1H-Imidazole, 2-chloro-1-(2-hydroxy-3-methoxypropyl)-4-nitro-
  • 1H-Imidazole-1-ethanol, 2-chloro-alpha-(methoxymethyl)-4-nitro-

Registry Numbers

CAS Registry Number

  • 111119-29-0

FDA UNII

  • RXK0PPR67Q

System Generated Number

  • 0111119290

Structure Descriptors

InChI

1S/C7H10ClN3O4/c1-15-4-5(12)2-10-3-6(11(13)14)9-7(10)8/h3,5,12H,2,4H2,1H3

InChIKey

VXFYUTQHAIJKMR-UHFFFAOYSA-N

Smiles

c1(nc(cn1C[C@@H](COC)O)[N+](=O)[O-])Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1500mg/kg (1500mg/kg)   Neoplasma. Vol. 34, Pg. 253, 1987.
rat LD50 intraperitoneal 1350mg/kg (1350mg/kg)   Neoplasma. Vol. 34, Pg. 253, 1987.