Xanthinol nicotinate

7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione;pyridine-3-carboxylic acid

CAS: 437-74-1

Molecular Formula	`C19H26N6O6`
Molecular Weight	434.4 g/mol
Topological Polar Surface Area	152.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	434.19138
Heavy Atoms	31
Complexity	548.0

Chemical Identifiers

CAS Number	437-74-1
SMILES	`CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O.C1=CC(=CN=C1)C(=O)O`
InChIKey	`GEPMAHVDJHFBJI-UHFFFAOYSA-N`

📖 Product Overview

Xanthinol nicotinate (CAS: 437-74-1) is a chemical compound with molecular formula C19H26N6O6 and molecular weight 434.4 g/mol. Its IUPAC systematic name is 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione;pyridine-3-carboxylic acid. Topological Polar Surface Area 152.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 9 Rotatable Bonds 7 Exact Mass 434.19138 Heavy Atoms 31 Complexity 548.0 InChI Key: GEPMAHVDJHFBJI-UHFFFAOYSA-N. SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O.C1=CC(=CN=C1)C(=O)O.

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