caffeidine
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caffeidine
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CAS No:
20041-90-1
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Formula:
C7H12N4O
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Chemical Name:
caffeidine
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Synonyms:
caffeidine;Caffeine Impurity E;1H-Imidazole-5-carboxamide, N,1-dimethyl-4-(methylamino)-;N,3-dimethyl-5-(methylamino)imidazole-4-carboxamide;DTXSID80173862;ZINC5115485;AKOS026728319;N,1-dimethyl-4-(methylamino)-1H-imidazole-5-carboxamide
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CAS No:
caffeidine Use and Manufacturing
Caffeidine is an impurity of Caffeine (C080100), a xanthine alkaloid that acts as a stimulant drug and a reversible acetylcholinesterase inhibitor. Caffeidine have also shown inhibitory activity towards cyclic nucleotide phosphodiesterases.
Computed Properties
Molecular Weight:168.20
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:168.10111102
Monoisotopic Mass:168.10111102
Topological Polar Surface Area:59
Heavy Atom Count:12
Complexity:173
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes