Rebamipide

C19H15ClN2O4CAS 111911-87-6370.79 g/mol

Open in Covalent MOL file
ONHOHNOHOCl
AmideAryl halideCarboxylic acidPhenol

Properties

Molecular formula
C19H15ClN2O4
Molar mass
370.79 g/mol
Exact mass
370.0720 Da
Melting point
248–257 °C (decomposes)
logP
3.02Crippen estimate
Polar surface area
99.5 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
111911-87-6
SMILES
O=C(NC(Cc1cc(O)nc2ccccc12)C(=O)O)c1ccc(Cl)cc1
InChIKey
ALLWOAVDORUJLA-UHFFFAOYSA-N
InChI
InChI=1S/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)

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Names and synonyms

9 names
  • 4-Quinolinepropanoic acid, α-[(4-chlorobenzoyl)amino]-1,2-dihydro-2-oxo-
  • α-[(4-Chlorobenzoyl)amino]-1,2-dihydro-2-oxo-4-quinolinepropanoic acid
  • OPC 12759
  • Proamipide
  • Mucosta
  • Rebator
  • 2-(4-Chloro-benzoylamino)-3-(2-hydroxy-quinolin-4-yl)-propionic acid
  • 2-(4-Chloro-benzoylamino)-3-(2-oxo-1,2-dihydro-quinolin-4-yl)-propionic acid
  • 2-[(4-Chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid

Work with Rebamipide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Rebamipide90098-04-7

Similar compounds

Bz-glu-oh6094-36-640 % similar Fmoc-D-4-chlorophe142994-19-239 % similar (S)-N-Fmoc-4-chlorophenylalanine175453-08-439 % similar 2-Hydroxycinchoninic acid15733-89-838 % similar Boc-L-4-chlorophe68090-88-038 % similar Boc-2-chloro-L-phenylalanine114873-02-837 % similar (R)-2-((tert-Butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoic acid80102-23-437 % similar 4-Chloro-N-[2-(4-hydroxyphenyl)ethyl]benzamide41859-57-837 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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