Xanthinol nicotinate
CAS Registry Number®
437-74-1
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CAS Name
Xanthinol nicotinateMolecular Formula
C13H21N5O4.C6H5NO2Cite this Page
Xanthinol nicotinate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=437-74-1 (retrieved ) (CAS RN: 437-74-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
180 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
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)
InChIKey
InChIKey=GEPMAHVDJHFBJI-UHFFFAOYSA-N
SMILES
C(C(CN(CCO)C)O)N1C2=C(N=C1)N(C)C(=O)N(C)C2=O.C(O)(=O)C=1C=CC=NC1
Canonical SMILES
O=C(O)C=1C=NC=CC1.O=C1C2=C(N=CN2CC(O)CN(C)CCO)N(C(=O)N1C)C
Other Names for this Substance
- 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)
Deleted or Replaced CAS Registry Numbers
8076-17-3
