Basic information
- CAS
35898-87-4- Standard SMILES
COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC- InChIKey
QVZCXCJXTMIDME-UHFFFAOYSA-N- Molecular formula
- C31H44N2O10
- Average molar mass
- 604.7 g/mol
- Monoisotopic mass
- 604.2995956
Overview
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+).
Names & identifiers
- Preferred name
- Dilazep
- IUPAC
- 3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate
- English name
- Dilazep dihydrochloride
- Molecular formula
- C31H44N2O10
- Molecular weight
- 604.69
Names & synonyms
Dilazep35898-87-4DilazepumDTXSID9045425F8KLC2BD5ZBenzoic acid, 3,4,5-trimethoxy-, (tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)di-3,1-propanediyl esterDTXCID7025425CHEBI:928423-{4-[3-(3,4,5-trimethoxybenzoyloxy)propyl]-1,4-diazepan-1-yl}propyl 3,4,5-trimethoxybenzoateBiopropazepan TrimethoxybenzoateC 4898, AstaTrimethoxybenzoate, Biopropazepan
Show more names
as05Dilazep2HCl,1-propanediylesterDilazep HydrochlorideDilazep dihydrochloride(1,4-diazepane-1,4-diyl)bis(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate)1,4-BIS[3-(3,4,5-TRIMETHOXYBENZOYLOXY)PROPYL]HOMOPIPERAZINE DIHYDROCHLORIDEbenzoicacid,3,4,5-trimethoxy-,(tetrahydro-1h-1,4-diazepine-1,4(5h)-diyl)di-3N,N'-BIS[3-(3,4,5-TRIMETHOXY-BENZOYLOXY)PROPYL]HOMOPIPER-AZINE DIHYDROCHLORIDE
3-(4-(3-(3,4,5-trimethoxybenzoyloxy)propyl)-1,4-diazepan-1-yl)propyl 3,4,5-trimethoxybenzoateRefChem:134114C01DX10Dilazep [INN]3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoateCHEMBL1260753,3'-(1,4-Diazepan-1,4-diyl)dipropyl bis(3,4,5-trimethoxybenzoat)Dilazep (INN)
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 18
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 727
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 646 · 646.0±55.0 °C(Predicted)
- Density
- 1.156 · 1.156±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: 10 mg/mL
- form
- powder
- pka
- 5.14 · pKa 5.14±0.1 (H2O t=25.0±0.1 I=0.1 N2atmosphere) (Uncertain);8.25±0.08(H2O t=25.0±0.1 I=0.1 N2atmosphere) (Uncertain)
- color
- white
- FDA UNII
- 8 KLC2BD5Z · F8KLC2BD5Z
- ATC code
- 1 DX10 · C01DX10
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 2 · 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 2
- rtecs
- DI0250000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.
Applications
UsesDilazep Dihydrochloride is a research product for neuroscience. This compound may exhibit neuroprotective properties. Angiotensin converting, adenosine reuptake inhibitor. Antiplatelet agent. Dilazep acts as a cerebral vasodialator.
Usesvasodilator, platelet aggregation inhibitor
Upstream & downstream products
Upstream raw materials
Suppliers11 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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