Secnidazole

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Systematic / IUPAC Name: 1-(2-Methyl-5-nitro-1H-imidazol-1-yl)-2-propanol

ID: Reference9960

Other Names: Flagentyl;
Solosec;
1-(2-Hydroxypropyl)-2-methyl-5-nitroimidazol;
1-(2-Methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol;
1-(2-Methyl-5-nitro-1-imidazolyl)-2-propanol ; more

Formula: C7H11N3O3

Spectral Data

Secnidazole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 275
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 9/28/2020 11:33:05 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3
InChI Key KPQZUUQMTUIKBP-UHFFFAOYSA-N
Canonical SMILES CC1=NC=C(N1CC(C)O)[N+](=O)[O-]
CAS
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Other Names Flagentyl;
Solosec;
1-(2-Hydroxypropyl)-2-methyl-5-nitroimidazol;
1-(2-Methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol;
1-(2-Methyl-5-nitro-1-imidazolyl)-2-propanol;
1-(2-Methyl-5-nitroimidazol-1-yl)-2-propanol;
1-(2-Methyl-5-nitroimidazol-1-yl)propan-2-ol;
1-(2-Methyl-5-nitro-imidazol-1-yl)propan-2-ol;
1-(2-Methyl-5-nitro-imidazol-1-yl)-propan-2-ol;
1H-Imidazole-1-ethanol, a,2-dimethyl-5-nitro-;
α,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol;
α,2-Dimethyl-5-nitroimidazole-1-ethanol;
Imidazole-1-ethanol, α,2-dimethyl-5-nitro-;
Secnidazol;
Secnidazolum

In Other Databases

ChemSpider 64839
Wikipedia Secnidazole
ChEMBL CHEMBL498847
KEGG D07353
ChEBI CHEBI:94433
ChemIDPlus 003366958
DrugBank DB12834
PubChem 71815