Metronidazole benzoate

CAS Registry Number®

13182-89-3

CAS Name

Metronidazole benzoate

Molecular Formula

C13H13N3O4

Molecular Mass

275.26

Cite this Page

Metronidazole benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13182-89-3 (retrieved 2024-11-22) (CAS RN: 13182-89-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    100 °C

Source(s)

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

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration