Chem
J-GLOBAL ID:200907037072494998
Nikkaji number:J213.728C
Metronidazole benzoate
メトロニダゾールベンゾアート
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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:
C13 H13 N2 [N+]O3 [O-]
Molecular formula furigana:
C13-H13-N3-O4
Molecular weight:
275.264
InChI:
InChI=1S/C13H13N3O4/c1-10-14-9-12(16(18)19)15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChI key:
CUUCCLJJOWSASK-UHFFFAOYSA-N
SMILES:
Cc1ncc(n1CCOC(=O)c1ccccc1)[N+](=O)[O-]
Systematic name (5):
安息香酸2-(2-メチル-5-ニトロ-1H-イミダゾール-1-イル)エチル
2-メチル-5-ニトロ-1H-イミダゾール-1-エタノールベンゾアート
安息香酸[2-(2-メチル-5-ニトロ-1H-イミダゾール-1-イル)エチル]
2-(2-メチル-5-ニトロ-1H-イミダゾール-1-イル)エチル ベンゾアート
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate
Other name (3):
Benzoic acid [2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl] ester
メトロニダゾールベンゾアート
Metronidazole benzoate
CAS registry number:
13182-89-3
Regulation number (1):
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