Pentifylline
CAS Registry Number®
1028-33-7
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CAS Name
PentifyllineMolecular Formula
C13H20N4O2Molecular Mass
264.32Cite this Page
Pentifylline. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1028-33-7 (retrieved ) (CAS RN: 1028-33-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
82.5 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3
InChIKey
InChIKey=MRWQRJMESRRJJB-UHFFFAOYSA-N
SMILES
O=C1C2=C(N(C)C(=O)N1CCCCCC)N=CN2C
Canonical SMILES
O=C1C2=C(N=CN2C)N(C(=O)N1CCCCCC)C
Other Names for this Substance
- 1H-Purine-2,6-dione, 1-hexyl-3,7-dihydro-3,7-dimethyl-
- Theobromine, 1-hexyl-
- 1-Hexyl-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
- Cosaldon
- 1-Hexyl-3,7-dimethylxanthine
