chempirical

Nimorazole

C9H14N4O3CAS 6506-37-2226.24 g/mol

Open in Covalent MOL file
ON+O−NNNO
EtherNitroTertiary amine

Properties

Molecular formula
C9H14N4O3
Molar mass
226.24 g/mol
Exact mass
226.1066 Da
Melting point
110–111 °C
logP
0.12Crippen estimate
Polar surface area
73.4 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
6506-37-2
SMILES
O=[N+]([O-])c1cncn1CCN1CCOCC1
InChIKey
MDJFHRLTPRPZLY-UHFFFAOYSA-N
InChI
InChI=1S/C9H14N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2

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Names and synonyms

15 names · show all
  • Morpholine, 4-[2-(5-nitro-1H-imidazol-1-yl)ethyl]-
  • Morpholine, 4-[2-(5-nitroimidazol-1-yl)ethyl]-
  • 4-[2-(5-Nitro-1H-imidazol-1-yl)ethyl]morpholine
  • 1-(β-Morpholinoethyl)-5-nitroimidazole
  • Nitrimidazine
  • 4-[2-(5-Nitroimidazol-1-yl)ethyl]morpholine
  • Naxogin
  • K-1900
  • Nimorazol
  • Naxofem
  • Nulogyl
  • Acterol
  • Esclama
  • NSC 107524
  • 1-(Morpholinoethyl)-5-nitroimidazole

Work with Nimorazole

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-Morpholino-5-nitropyridine26820-62-241 % similar 4-(4-Nitrophenyl)morpholine10389-51-238 % similar 4-(2-Fluoro-4-nitrophenyl)morpholine2689-39-633 % similar 4-Methoxy-5-[3-(4-morpholinyl)propoxy]-2-nitrobenzonitrile675126-26-833 % similar 4-(2,5-Diethoxy-4-nitrophenyl)morpholine86-16-832 % similar Metronidazole443-48-132 % similar Furaltadone139-91-331 % similar 2-Hydroxymethyl-1-methyl-5-nitroimidazole936-05-031 % similar

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

Same formula

Carnosine305-84-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook