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ScientificNameLabel
Tranilast
PHCD compound ID : 2423
Chemical Names :
Tranilast
Molecular Formula : C18H17N1O5
Molecular Weight : 327.110673
More Details :
Names & Synonyms: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid , 2-[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid , 2-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]amino]benzoic acid
Smiles: COc1cc(/C=C/C(=O)Nc2ccccc2C(=O)O)ccc1OC
InChi : InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+
InChi Key : InChIKey=NZHGWWWHIYHZNX-CSKARUKUSA-N
PubChem ID : 5282230
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 9.047347
Hydrogen bond donor count : 2 Electric dipole moment : 2.281
XLogP : 1.749 VDW volume : 304.59103
Molecular weight : 327.110673 HOMO-LUMO gap : 8.058000
Herb list :
Refrences & Litretures:
  
270.      Journal:'Critical Reviews in Food Science and Nutrition'      Year:'2013'      Volume:'53'      Page:'126'      DOI:'10.1080/10408398.2010.526725'      Title:'Avena sativa (Oat), A Potential Neutraceutical and Therapeutic Agent: An Overview'
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