Compound: dyphylline
SMILES: O=c1n(c(=O)c2n(CC(O)CO)cnc2n1C)C
InChIKey: KSCFJBIXMNOVSH-UHFFFAOYSA-N
Synonyms: dyphylline, Diprophylline, 479-18-5, 7-(2,3-Dihydroxypropyl)theophylline, Diphylline, Glyphylline, Corphyllin, Neutrafillina, Neutraphylline, Neutroxantina, Protheophylline, Synthophylline, Glyfyllin, Glyphyllin, Hyphylline, Neophyllin, Hidroxiteofillina, Astrophyllin, Coronarin, Hiphyllin, Neophylline, Neotilina, Neutrafil, Purifilin, Silbephylline, Solufilin, Solufyllin, Soluphyllin, Circain, Tefilan, Thefylan, Neufil, Theal, Neo-Vasophylline, COR-theophylline, Diprofilina, Diprophyllinum, Tesfen, Dihydroxypropyl theopylin, Diprofillina, 7-(2,3-Dihydroxypropyl)-1,3-dimethylxanthine, Dihydroxypropyltheophylline, (1,2-Dihydroxy-3-propyl)thiophyllin, Dilor-400, 7-(beta,gamma-Dihydroxypropyl)theophylline, Dyphilline, 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione, 7-(2,3-Dioxypropyl)theophylline, (+-)-dyphylline, Dyphylline (USP), 1,3-Dimethyl-7-(2,3-dihydroxypropyl)xanthine, (+-)-diprophylline, 1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-, 7-(2,3-Dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, DTXSID6022975, Theophylline, 7-(2,3-dihydroxypropyl)-, (+-)-7-(2,3-Dihydroxypropyl)theophylline, NSC-14305, Dyphylline [USP], CHEBI:4728, 263T0E9RR9, 7-(2,3-dihydroxypropyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl, DTXCID102975, NSC14305, dyphyllyne, RefChem:55086, R03DA01, 207-526-1, Lufyllin, Diprophyllin, Neothylline, Aristophyllin, Asthmolysin, Diprofillin, Neutraphyllin, Propyphyllin, Neophyl, AFI-Phyllin, Diprofilline, Dipropylline, Neostenovasan, Silbephyllin, Coronal, Teofen, Liactemin, Droxine, Dyflex, Neophyllin M, Astmamasit, Isophyllen, Circair, Theal ampules, Dihydroxypropyl theophylline, Iphyllin, 7-(2,3-Dihydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, MFCD00005759, NSC 14305, 7-[2,3-Dihydroxypropyl]-theophylline, Diprophylline [INN], 7-(2,3-Dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, MLS000069403, Glyphyllinum, Diphyllin (VAN), SMR000059068, Diprofillina [DCIT], 7-(2,3-dimethylxanthine, 1,3-dihydroxypropyl)xanthine, Diprofilina [INN-Spanish], Diprophyllinum [INN-Latin], Theophylline,3-dihydroxypropyl)-, Dihydroxypropyl theopylin (german), 7-(2,3-dihydroxypropyl)-theophylline, Lufyllin (TN), HSDB 3322, 7-(.beta.,.gamma.-Dihydroxypropyl)theophylline, WLN: T56 BN DN FNVNVJ B1YQ1Q F1 H1, SR-01000002972, EINECS 207-526-1, Diprophylline (JAN/INN), BRN 0284563, Astmophysine, Athmolysin, Neothyllin, Prophyllen, Thefulan, UNII-263T0E9RR9, Cor-Theophyllin, 1H-Purine-2, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-, 7-(2,3-dihydroxypropyl)-1,3-dimethyl-1,3,7-trihydropurine-2,6-dione, Diprophylline CRS, NCGC00016455-01, CAS-479-18-5, Prestwick_465, Dyphylline (Dilor), (Rac)-diprophylline, (+/-)-dyphylline, Diphylline (Standard), (+/-)-diprophylline, Spectrum_000809, DYPHYLLINE [MI], Opera_ID_1754, Prestwick0_000033, Prestwick1_000033, Prestwick2_000033, Prestwick3_000033, Spectrum2_000090, Spectrum3_000411, Spectrum4_000530, Spectrum5_000953, DYPHYLLINE [HSDB], DYPHYLLINE [VANDF], Epitope ID:613464, Diphylline (pharmaceutical), DIPROPHYLLINE [JAN], SCHEMBL8192, CHEMBL1752, DYPHYLLINE [USP-RS], Oprea1_363458, BSPBio_000125, BSPBio_001962, KBioGR_001139, KBioSS_001289, 5-26-14-00070 (Beilstein Handbook Reference), MLS001076466, DIPROPHYLLINE [MART.], DivK1c_000022, SPECTRUM1500269, SPBio_000020, SPBio_002046, DIPROPHYLLINE [WHO-DD], BPBio1_000139, GTPL7070, orb1310194, orb2300186, DYPHYLLINE [ORANGE BOOK], BDBM82016, HMS500B04, HY-B0128R, KBio1_000022, KBio2_001289, KBio2_003857, KBio2_006425, KBio3_001182, KSCFJBIXMNOVSH-UHFFFAOYSA-, 7-(2,3-dihydroxypropyl)-1,3-dimethyl-purine-2,6-dione, NINDS_000022, DYPHYLLINE [USP MONOGRAPH], HMS1568G07, HMS1920K08, HMS2091B13, HMS2095G07, HMS2232K09, HMS3372H13, HMS3654D18, HMS3712G07, HMS3884E19, HMS5079E12, Pharmakon1600-01500269, HY-B0128, MSK10054, NSC_3182, NSC40844, XCA37677, DIPROPHYLLINE [EP MONOGRAPH], Tox21_110444, AC7833, BBL009638, CCG-38906, EBC-26332, NSC 40844, NSC-40844, NSC756753, s1504, SBB003125, STK796769, AKOS005203076, Tox21_110444_1, CS-1901, DB00651, FD22634, NSC-756753, 1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-, (+-)-, IDI1_000022, SMP1_000108, NCGC00018099-02, NCGC00018099-03, NCGC00018099-04, NCGC00018099-05, NCGC00018099-06, NCGC00018099-09, NCGC00018099-10, NCGC00089736-02, NCGC00089736-03, NCGC00178894-01, NCGC00178894-02, AC-11186, AS-12460, CAS_479-18-5, SY011592, SBI-0051359.P003, DB-051485, (+/-)-7-(2,3-dihydroxypropyl)theophylline, AB00051977, D3600, NS00005860, ST50298840, SW196679-3, T0892, C07819, D00691, AB00051977-15, AB00051977_16, AB00051977_17, EN300-7392811, F464564, Q1073333, SR-01000002972-2, SR-01000002972-3, SR-01000002972-4, BRD-A00827783-001-05-5, BRD-A00827783-001-15-4, BRD-A00827783-001-23-8, BRD-A00827783-001-24-6, Diprophylline, European Pharmacopoeia (EP) Reference Standard, Dyphylline, United States Pharmacopeia (USP) Reference Standard, 7-(2,3-Dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-purine-2,6-dione, InChI=1/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
Theoretical properties:
molecular_formula: C10H14N4O4
molecular_weight: 254.24 g/mol
exact_mass: 254.10150494 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 3
heavy_atom_count: 18
topological_polar_surface_area: 98.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: CRYSTALS FROM ALCOHOL
color: CRYSTALS FROM ALCOHOL
melting_point: 155-157
Descriptions:
pubchem: Dyphylline is an oxopurine that is theophylline bearing a 2,3-dihydroxypropyl group at the 7 position. It has broncho- and vasodilator properties, and is used in the treatment of asthma, cardiac dyspnea, and bronchitis. It is also an ingredient in preparations that have been promoted for coughs. It has a role as a bronchodilator agent, a vasodilator agent, an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor and a muscle relaxant. It is an oxopurine and a member of propane-1,2-diols.
chebi: An oxopurine that is theophylline bearing a 2,3-dihydroxypropyl group at the 7 position. It has broncho- and vasodilator properties, and is used in the treatment of asthma, cardiac dyspnea, and bronchitis. It is also an ingredient in preparations that have been promoted for coughs.
chembl: DYPHYLLINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Diprophylline (INN) or dyphylline (USAN) (trade names Dilor, Lufyllin) is a xanthine derivative with bronchodilator and vasodilator effects. It is used in the treatment of respiratory disorders like asthma, cardiac dyspnea, and bronchitis. It acts as an adenosine receptor antagonist and phosphodiesterase inhibitor.