Nitroflurbiprofen
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Nitroflurbiprofen
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CAS No:
158836-71-6
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Formula:
C19H20FNO5
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Chemical Name:
Nitroflurbiprofen
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Synonyms:
[1,1′-Biphenyl]-4-acetic acid,2-fluoro-α-methyl-,4-(nitrooxy)butyl ester;Nitroflurbiprofen;Flurbinitroxy butyl ester;Nitroxybutyl flurbiprofen;HCT 1026;NO-flurbiprofen;HCT 1206;329306-28-7
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CAS No:
Description
Nitroflurbiprofen is a carboxylic ester obtained by formal condensation of the carboxy group of flurbiprofen with the free hydroxy group of 4-(nitrooxy)butanol. It is a non-steroidal anti-inflammatory agent showing inhibitory effects against the cyclooxygenases COX1 and COX2. It has a role as a cyclooxygenase 1 inhibitor, a cyclooxygenase 2 inhibitor, a non-steroidal anti-inflammatory drug, an EC 1.14.13.39 (nitric oxide synthase) inhibitor and a vasodilator agent. It is an organofluorine compound, a member of biphenyls, a carboxylic ester and a nitrate ester. It derives from a flurbiprofen.
Computed Properties
Molecular Weight:361.4
XLogP3:5.5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:361.13255090
Monoisotopic Mass:361.13255090
Topological Polar Surface Area:81.4
Heavy Atom Count:26
Complexity:450
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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