Compound: proxyphylline
SMILES: O=c1n(c(=O)c2n(CC(O)C)cnc2n1C)C
InChIKey: KYHQZNGJUGFTGR-UHFFFAOYSA-N
Synonyms: proxyphylline, 603-00-9, Purophyllin, 7-(2-Hydroxypropyl)theophylline, Spasmolysin, Brontyl, Proxiphylline, Sigophyl, Theoden, Thean, Oxypropyltheophylline, Theon, Proxifilina, Spantin, 2-Hydroxypropyl-7-theophylline, Monophyllin, Proxyphyllinum, beta-Oxypropyltheophyllin, 1,3-Dimethyl-7-(2-hydroxypropyl)xanthine, 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxypropyl)-1,3-dimethyl-, DTXSID5023536, NSC-163343, 13G1DMN4P0, R03DA03, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxypropyl)-, DTXCID603536, 7-(2-hydroxypropyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, NSC163343, proxifillina, RefChem:870056, 210-028-7, Monophylline, Sanwaphyllin, Proxy-Retardoral, Hydroxypropyltheophylline, Proxylphylline, 7-(beta-Hydroxypropyl)theophylline, Theophylline, 7-(2-hydroxypropyl)-, NSC 163343, 7-(2-Hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, .beta.-Hydroxypropyltheophylline, 7-(2-Hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 3,7-Dihydro-7-(2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6-dione, MFCD00022833, CHEMBL37390, MLS000069521, 7-(b-Hydroxypropyl)theophylline, 7-(.beta.-Hydroxypropyl)theophylline, Proxiphyllinum, SMR000058629, 7-(.beta.-Hydroxypropyl)-1,3-dimethylxanthine, Proxifilina [INN-Spanish], Proxyphyllinum [INN-Latin], Proxyphylline [INN:BAN:JAN], EINECS 210-028-7, UNII-13G1DMN4P0, Proxyfylline, 7-(2-hydroxypropyl)-1,3-dimethyl-1,3,7-trihydropurine-2,6-dione, 7-(beta-Hydroxypropyl)-1,3-dimethylxanthine, Proxyphylline CRS, Monophyllin (TN), NCGC00016521-01, CAS-603-00-9, Proxyphylline; 7-[(2RS)-2-Hydroxypropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione; Diprophylline Imp. D (EP); Diprophylline Impurity D, 7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione, Proxyphylline (Standard), Opera_ID_1170, Prestwick0_000890, Prestwick1_000890, Prestwick2_000890, Prestwick3_000890, Proxyphylline (JAN/INN), PROXYPHYLLINE [MI], PROXYPHYLLINE [INN], PROXYPHYLLINE [JAN], SCHEMBL35569, BSPBio_000680, (+/-)-PROXYPHYLLIN, PROXYPHYLLINE [MART.], 7-(2-hydroxypropyl)-1,3-dimethyl-purine-2,6-dione, SPBio_002899, 7-(2-Hydroxy-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione, PROXYPHYLLINE [WHO-DD], BPBio1_000748, orb1301392, SCHEMBL11830512, 7-(?-Hydroxypropyl)theophylline, CHEBI:32070, HY-B1742R, HMS1570B22, HMS2097B22, HMS2233E08, HMS3371A07, HMS3886C07, HMS5083L22, Pharmakon1600-01505915, HY-B1742, PROXYPHYLLINE [EP MONOGRAPH], Tox21_110471, BDBM50028190, MSK170190, NSC759279, PDSP1_001132, PDSP2_001116, s4932, SBB058155, 3,3-dimethyl-1H-purine-2,6-dione, AKOS015967318, Tox21_110471_1, CCG-213993, CS-7727, DB13449, EBC-616724, FP43739, NSC-759279, Proxyphylline; Monophylline, Spasmolysin, 7 BETA-HYDROXYPROPYL THEOPHYLLINE, NCGC00018121-02, NCGC00018121-03, NCGC00018121-07, NCGC00179479-01, AS-11774, 7-(2-hydroxypropyl)-1,3-dimethylxanthine, Diprophylline EP Impurity D; Proxyphylline, SBI-0207057.P001, 7-.BETA.-HYDROXYPROPYL THEOPHYLLINE, DB-053586, AB00513948, H1430, NS00003035, ST50409303, DIPROPHYLLINE IMPURITY D [EP IMPURITY], D01771, H10429, AB00384297_13, F324007, SR-01000003009, Q7252904, SR-01000003009-2, BRD-A28887267-001-03-7, BRD-A28887267-001-19-3, 1,3-DIMETHYL-7-(2-HYDROXYPROPYL)-2,6-DIOXOPURINE, 1H-Purine-2, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxypropyl)-, 1H-Purine-2, 3,7-dihydro-7-(2-hydroxypropyl)-1,3-dimethyl-, Proxyphylline, European Pharmacopoeia (EP) Reference Standard, 7-(2-Hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione #, 7-(2-Hydroxy-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione(Proxyphylline), 1,3-Dimethyl-7-(2-hydroxypropyl)xanthine;1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxypropyl)-;1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxypropyl)-1,3-dimethyl-;2-Hydroxypropyl-7-theophylline;3,7-dihydro-1,3-dimethyl-7-(2-hydroxypropyl)-1h-, Diprophylline Imp. D (EP), 7-[(2RS)-2-Hydroxypropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione,Proxyphylline
Theoretical properties:
molecular_formula: C10H14N4O3
molecular_weight: 238.24 g/mol
exact_mass: 238.10659032 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 2
heavy_atom_count: 17
topological_polar_surface_area: 78.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: >35.7 [ug/mL] (The mean of the results at pH 7.4)
Descriptions:
pubchem: Proxyphylline is an oxopurine.
wikipedia: Proxyphylline is a xanthine derivative that acts as a cardiac stimulant, vasodilator and bronchodilator.