Resatorvid
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Resatorvid
structure -
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CAS No:
243984-11-4
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Formula:
C15H17ClFNO4S
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Chemical Name:
Resatorvid
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Synonyms:
1-Cyclohexene-1-carboxylic acid,6-[[(2-chloro-4-fluorophenyl)amino]sulfonyl]-,ethyl ester,(6R)-;TAK 242;Resatorvid
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CAS No:
Characteristics
80.85000
4.41660
1.39g/cm3
54-55 °C @ Solvent: Diisopropyl ether, Hexane
461.958ºC
233.184ºC
1.574
0mmHg at 25°C
Drug Information
Investigated for use/treatment in sepsis and septicemia.
TAK-242 suppresses production of inflammatory mediators such as cytokine by inhibiting the signal transduction through Toll-like receptor 4 (TLR4) which is one of the receptors recognizing the bacterial components.
CLI 095
Computed Properties
Molecular Weight:361.8
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:361.0550851
Monoisotopic Mass:361.0550851
Topological Polar Surface Area:80.8
Heavy Atom Count:23
Complexity:560
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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