Cinmetacin
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Cinmetacin
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CAS No:
20168-99-4
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Formula:
C21H19NO4
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Chemical Name:
Cinmetacin
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Synonyms:
1H-Indole-3-acetic acid,5-methoxy-2-methyl-1-(1-oxo-3-phenyl-2-propen-1-yl)-;Indole-3-acetic acid,1-cinnamoyl-5-methoxy-2-methyl-;1H-Indole-3-acetic acid,5-methoxy-2-methyl-1-(1-oxo-3-phenyl-2-propenyl)-;5-Methoxy-2-methyl-1-(1-oxo-3-phenyl-2-propen-1-yl)-1H-indole-3-acetic acid;1-Cinnamoyl-2-methyl-5-methoxyindolyl-3-acetic acid;Cinmetacin;Indolacin;Cinmethacin;Cindomet;1-Cinnamoyl-5-methoxy-2-methylindole-3-acetic acid
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CAS No:
Characteristics
68.5
3.93900
1.19g/cm3
170 °C
488ºC at 760mmHg
248.9ºC
1.593
<1mg/L(25 ºC)
2.45E-10mmHg at 25°C
LD50 in mice, rats (mg/kg): 360, 590 i.p.; 750, 1020 orally (Komatsu)
Computed Properties
Molecular Weight:349.4
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:349.13140809
Monoisotopic Mass:349.13140809
Topological Polar Surface Area:68.5
Heavy Atom Count:26
Complexity:540
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
Extract from the above information
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