Xanthinol nicotinate

C19H26N6O6CAS 437-74-1434.45 g/mol

NOHOHNNONONOHON
AlcoholCarboxylic acidTertiary amine

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
437-74-1
SMILES
CN(CCO)CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.O=C(O)c1cccnc1
InChIKey
GEPMAHVDJHFBJI-UHFFFAOYSA-N
InChI
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)

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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

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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