chempirical

Ronidazole

C6H8N4O4CAS 7681-76-7200.15 g/mol

Open in Covalent MOL file
NN+OO−NOH2NO
Nitro

Properties

Molecular formula
C6H8N4O4
Molar mass
200.15 g/mol
Exact mass
200.0546 Da
Melting point
168 °C
logP
0.34Crippen estimate
Polar surface area
114.3 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3

Identifiers

CAS number
7681-76-7
SMILES
Cn1c([N+](=O)[O-])cnc1COC(=N)O
InChIKey
PQFRTXSWDXZRRS-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N4O4/c1-9-4(3-14-6(7)11)8-2-5(9)10(12)13/h2H,3H2,1H3,(H2,7,11)

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Names and synonyms

12 names
  • 1H-Imidazole-2-methanol, 1-methyl-5-nitro-, 2-carbamate
  • Imidazole-2-methanol, 1-methyl-5-nitro-, carbamate (ester)
  • 1H-Imidazole-2-methanol, 1-methyl-5-nitro-, carbamate (ester)
  • 1-Methyl-2-carbamoyloxymethyl-5-nitroimidazole
  • (1-Methyl-5-nitroimidazol-2-yl)methyl carbamate
  • Ridzole
  • Ridzol P
  • Ridzol
  • Dugro
  • MCMN
  • Ronida BT
  • (1-Methyl-5-nitro-1H-imidazol-2-yl)methyl carbamate

Work with Ronidazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Hydroxymethyl-1-methyl-5-nitroimidazole936-05-060 % similar Dimetridazole551-92-848 % similar Metronidazole443-48-137 % similar Secnidazole3366-95-836 % similar Ornidazole16773-42-533 % similar Benzyl carbamate621-84-133 % similar Carnidazole42116-76-733 % similar Evofosfamide918633-87-132 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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