Xanthinol nicotinate
Properties
- Molecular formula
- C19H26N6O6
- Molar mass
- 434.45 g/mol
- Exact mass
- 434.1914 Da
- Melting point
- 180 °C
- logP
- -1.50Crippen estimate
- Polar surface area
- 155.7 Ų
- H-bond donors / acceptors
- 3 / 8
- Rotatable bonds
- 7
Identifiers
CAS number
437-74-1SMILES
CN(CCO)CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.O=C(O)c1cccnc1InChIKey
GEPMAHVDJHFBJI-UHFFFAOYSA-NInChI
InChI=1S/C13H21N5O4.C6H5NO2/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2;8-6(9)5-2-1-3-7-4-5/h8-9,19-20H,4-7H2,1-3H3;1-4H,(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
25 names · show all
- 3-Pyridinecarboxylic acid, compd. with 3,7-dihydro-7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]-1,3-dimethyl-1H-purine-2,6-dione (1:1)
- Nicotinic acid, compd. with 7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]theophylline (1:1)
- Theophylline, 7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]-, nicotinate
- Theophylline, 7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]-, mononicotinate (salt)
- 1H-Purine-2,6-dione, 3,7-dihydro-7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]-1,3-dimethyl-, mono-3-pyridinecarboxylate (salt)
- SK 331A
- Complamin
- 7-[2-Hydroxy-3-[N-(2-hydroxyethyl)-N-methylamino]propyl]-1,3-dimethylxanthine pyridine-3-carboxylate
- 7-[2-Hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]theophylline nicotinate
- 7-[2-Hydroxy-3-[N-methyl-N-(2-hydroxyethyl)amino]-propyl]-theophylline nicotinate
- Xanthinol niacinate
- 7-[3-(Methyl-2-hydroxyethylamino)-2-hydroxypropyl)]theophylline nicotinate
- Complamin retard
- Sadamine
- Complamex
- Angioamin
- Contamex
- Stenalgil
- Teonicol
- Vedrin
- Xavin
- Xantinol nicotinate
- Landrina 300
- Angiomin
- NSC 113217
Work with Xanthinol nicotinate
Similar compounds
Diprophylline479-18-551 % similar
Proxyphylline603-00-945 % similar
Etofylline519-37-944 % similar
Acefylline652-37-941 % similar
Doxofylline69975-86-641 % similar
Caffeine58-08-233 % similar
Theofibrate54504-70-032 % similar
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, hydrate (1:1)5743-12-432 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds