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90098-04-7 molecular structure
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2-[(4-chlorophenyl)formamido]-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoic acid

ChemBase ID: 177385
Molecular Formular: C19H15ClN2O4
Molecular Mass: 370.7864
Monoisotopic Mass: 370.07203465
SMILES and InChIs

SMILES:
c1(c2c([nH]c(=O)c1)cccc2)CC(NC(=O)c1ccc(cc1)Cl)C(=O)O
Canonical SMILES:
Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(=O)[nH]c2c1cccc2
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)
InChIKey:
ALLWOAVDORUJLA-UHFFFAOYSA-N

Cite this record

CBID:177385 http://www.chembase.cn/molecule-177385.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(4-chlorophenyl)formamido]-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoic acid
IUPAC Traditional name
rebamipide
Synonyms
OPC-12759
Mucosta
Proamipide
α-[(4-Chlorobenzoyl)-amino]-1,2-dihydro-2-oxo-4-quinolinepropanoic Acid
Rebamipide
CAS Number
90098-04-7
PubChem SID
164233295
PubChem CID
5042

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5042 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.5185196  H Acceptors
H Donor LogD (pH = 5.5) 0.79067224 
LogD (pH = 7.4) -0.6052261  Log P 2.7645504 
Molar Refractivity 98.4974 cm3 Polarizability 36.540874 Å3
Polar Surface Area 95.5 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Apperance
White Solid expand Show data source
Melting Point
288-290°C (dec.) expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Target
Others expand Show data source
Salt Data
Free Base expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - R139000 external link
Shows antiulcer activity in rats.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Uchida, M., et al.: Chem. Pharm. Bull., 33, 3775 (1985)
  • • Yamasaki, K., et al.: Eur. J. Pharmacol., 142, 23 (1985)
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PATENTS

PATENTS

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INTERNET

INTERNET

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