Chem
J-GLOBAL ID：200907058112633926   Nikkaji number：J7.723B

Secnidazole

セクニダゾール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C7H11N2[N+]O2[O-]
Molecular formula furigana： C7-H11-N3-O3
Molecular weight： 185.183
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
SMILES： CC(O)Cn1c(C)ncc1[N+](=O)[O-]
Systematic name  (4)：
  • 1-(2-ヒドロキシプロピル)-2-メチル-5-ニトロ-1H-イミダゾール
  • α,2-ジメチル-5-ニトロ-1H-イミダゾール-1-エタノール
  • 1-(2-メチル-5-ニトロ-1H-イミダゾール-1-イル)プロパン-2-オール
  • 1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol
Other name (4)：
  • セクニダゾール
  • RP-14539
  • Secnidazole
  • α,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol
CAS registry number： 3366-95-8
Regulation number (1)：
  • EINECS2221340
KEGG DRUG： D07353
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