Compound: Dilazep
SMILES: O=C(OCCCN1CCN(CCCOC(=O)c2cc(OC)c(OC)c(c2)OC)CCC1)c3cc(OC)c(OC)c(c3)OC
InChIKey: QVZCXCJXTMIDME-UHFFFAOYSA-N
Synonyms: Dilazep, 35898-87-4, Dilazepum, DTXSID9045425, F8KLC2BD5Z, Benzoic acid, 3,4,5-trimethoxy-, (tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)di-3,1-propanediyl ester, DTXCID7025425, CHEBI:92842, 3-{4-[3-(3,4,5-trimethoxybenzoyloxy)propyl]-1,4-diazepan-1-yl}propyl 3,4,5-trimethoxybenzoate, Biopropazepan Trimethoxybenzoate, C 4898, Asta, Trimethoxybenzoate, Biopropazepan, 3-(4-(3-(3,4,5-trimethoxybenzoyloxy)propyl)-1,4-diazepan-1-yl)propyl 3,4,5-trimethoxybenzoate, RefChem:134114, C01DX10, Dilazep [INN], CHEMBL126075, 3,3'-(1,4-Diazepan-1,4-diyl)dipropyl bis(3,4,5-trimethoxybenzoat), Dilazep (INN), 3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate, NCGC00016747-03, (1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate), Tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol 3,4,5-trimethoxybenzoate (diester), Dilazepam, Dilazepum [INN-Latin], Dilazepam [INN-Spanish], (1,4-Diazepane-1,4-diyl)bis(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate), Benzoic acid, 3,4,5-trimethoxy-,(tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)di-3,1-propanediyl ester, CAS-35898-87-4, UNII-F8KLC2BD5Z, KI 2119, Tocris-0481, DILAZEP [MI], Prestwick0_000236, Prestwick1_000236, Prestwick2_000236, Prestwick3_000236, DILAZEP [WHO-DD], Lopac0_000369, SCHEMBL48830, BSPBio_000311, SPBio_002232, BPBio1_000343, GTPL4717, orb2815751, GLXC-25687, HMS2090A11, 1,4-Bis(3,4,5-trimethoxybenzyloxy)propyl)perhydro-1,4-diazepin, Tox21_110588, BDBM50017691, 3,3'-(1,4-Diazepan-1,4-diyl)dipropyl bis(3,4,5-trimethoxybenzoat) [IUPAC], Tox21_110588_1, DB13715, NCGC00016747-01, NCGC00016747-02, NCGC00016747-04, NCGC00016747-05, NCGC00016747-07, NCGC00024610-01, NCGC00024610-02, CAS-20153-98-4, NS00004756, D07843, Q5276700, SR-01000075817-3, BRD-K48722258-003-04-5, BRD-K48722258-300-03-7, BRD-K48722258-300-05-2, BRD-K48722258-300-07-8, BRD-K48722258-300-10-2, BRD-K48722258-300-11-0, 3,4,5-trimethoxybenzoic acid 3-[4-[3-[oxo-(3,4,5-trimethoxyphenyl)methoxy]propyl]-1,4-diazepan-1-yl]propyl ester, 8DZ
Theoretical properties:
molecular_formula: C31H44N2O10
molecular_weight: 604.7 g/mol
exact_mass: 604.29959560 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 12
rotatable_bond_count: 18
heavy_atom_count: 43
topological_polar_surface_area: 114 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Dilazep is a member of the class of diazepanes that is 1,4-diazepane substituted by 3-[(3,4,5-trimethoxybenzoyl)oxy]propyl groups at positions 1 and 4. It is a potent adenosine uptake inhibitor that exhibits antiplatelet, antianginal and vasodilator properties. It has a role as a vasodilator agent, a platelet aggregation inhibitor and a cardioprotective agent. It is a benzoate ester, a diazepane, a diester and a member of methoxybenzenes. It is a conjugate base of a dilazep(2+).
chebi: A member of the class of diazepanes that is 1,4-diazepane substituted by 3-[(3,4,5-trimethoxybenzoyl)oxy]propyl groups at positions 1 and 4. It is a potent adenosine uptake inhibitor that exhibits antiplatelet, antianginal and vasodilator properties.
chembl: DILAZEP is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Dilazep is a vasodilator that acts as an adenosine reuptake inhibitor.
It is used for the treatment of cardiopathy and renal disorders.