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Substance Name: Azomycin
RN: 527-73-1
UNII: K8E96XL55D
InChIKey: YZEUHQHUFTYLPH-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product

Molecular Formula

  • C3-H3-N3-O2.NH3

Molecular Weight

  • 113.0757
 
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Names and Synonyms

Name of Substance

  • Azomycin

Synonyms

  • 11A
  • 2-Nitro-1H-imidazole
  • 2-Nitroimidazole
  • 5-23-04-00471 (Beilstein Handbook Reference)
  • Amicin
  • Azomycin
  • BRN 0116444
  • EINECS 208-425-5
  • NSC 105831
  • Ro 05-9129
  • UNII-K8E96XL55D

Systematic Names

  • 1H-Imidazole, 2-nitro-
  • 2-Nitroimidazole
  • Imidazole, 2-nitro-

Registry Numbers

CAS Registry Number

  • 527-73-1

FDA UNII

  • K8E96XL55D

Other Registry Numbers

  • 116421-32-0
  • 151223-78-8

System Generated Number

  • 0000527731

Molecular Formulas

Molecular Formula

  • C3-H3-N3-O2.NH3

Molecular Formula Fragments

  • C3-H3-N3-O2
  • COMPONENT
  • NH3

Structure Descriptors

InChI

1S/C3H3N3O2/c7-6(8)3-4-1-2-5-3/h1-2H,(H,4,5)

InChIKey

YZEUHQHUFTYLPH-UHFFFAOYSA-N

Smiles

c1cnc([nH]1)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 80mg/kg (80mg/kg)   Journal of Antibiotics, Series A. Vol. 9, Pg. 168, 1956.
mouse LD50 intravenous 80mg/kg (80mg/kg)   Journal of Antibiotics, Series A. Vol. 6, Pg. 182, 1953.
mouse LD50 oral 80mg/kg (80mg/kg)   British Patent Document. Vol. #1229170,
mouse LD50 subcutaneous 316mg/kg (316mg/kg)   Antimicrobial Agents and Chemotherapy Vol. -, Pg. 478, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 287 dec deg C   EXP
log P (octanol-water) 0.15 (none)   EXP
Water Solubility 3.22E+04 mg/L 25 EST
Vapor Pressure 1.75E-04 mm Hg 25 EST
Henry's Law Constant 1.48E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.50E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.