CAS Registry Number®
13182-89-3
CAS Name
Metronidazole benzoate
Molecular Formula
C13H13N3O4
Molecular Mass
275.26
Compound Properties
-
Melting Point (1)
100 °C
Source(s)
- (1) Jacob, Robert M.; US2944061, 1960, CAplus
Other Names and Identifiers
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
InChIKey
InChIKey=CUUCCLJJOWSASK-UHFFFAOYSA-N
SMILES
C(COC(=O)C1=CC=CC=C1)N2C(N(=O)=O)=CN=C2C
Canonical SMILES
O=C(OCCN1C(=NC=C1N(=O)=O)C)C=2C=CC=CC2
Other Names for this Substance
- 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-benzoate
- Imidazole-1-ethanol, 2-methyl-5-nitro-, benzoate (ester)
- 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, benzoate (ester)
- Imidazole-1-ethanol, 2-methyl-5-nitro-, benzoate
- Metronidazole benzoate
- Benzoylmetronidazole
- Klion suspension
- 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate
- 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethylbenzoate
