3-Pyridinecarboxylic acid, compd. with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridinylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1)
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![3-Pyridinecarboxylic acid, compd. with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridinylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f0612bb2c8ff4d02a228ea29db1dfea7.png "3-Pyridinecarboxylic acid, compd. with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridinylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1)")
3-Pyridinecarboxylic acid, compd. with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridinylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1)
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CAS No:
10058-07-8
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Formula:
C15H18N6O2.C6H5NO2
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Chemical Name:
3-Pyridinecarboxylic acid, compd. with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridinylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1)
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Synonyms:
3-Pyridinecarboxylic acid,compd. with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridinylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1);Nicotinic acid,compd. with 7-[2-[(3-pyridylmethyl)amino]ethyl]theophylline (1:1);Nicotinic acid,compd. with 7-[2-[(3-pyridylmethyl)amino]ethyl]theophylline;Theophylline,7-[2-[(3-pyridylmethyl)amino]ethyl]-,nicotinate;1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridinylmethyl)amino]ethyl]-,mono-3-pyridinecarboxylate;7-(β-Picolylaminoethyl)theophylline nicotinate;Teonicon;ES 902;Pimephylline nicotinate;Pimefylline nicotinate
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CAS No:
3-Pyridinecarboxylic acid, compd. with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridinylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1) Basic Attributes
437.45200
437.18115224 g/mol
233-185-3
8Y694512DA
DTXSID90143399
Computed Properties
Molecular Weight:437.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:437.18115224
Monoisotopic Mass:437.18115224
Topological Polar Surface Area:134
Heavy Atom Count:32
Complexity:573
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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