Basic information
- CAS
20153-98-4- Standard SMILES
COc1cc(C(=O)OCCC[NH+]2CCC[NH+](CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC.[Cl-].[Cl-]- InChIKey
VILIWRRWAWKXRW-UHFFFAOYSA-N- Molecular formula
- C31H46Cl2N2O10
- Average molar mass
- 677.6 g/mol
- Monoisotopic mass
- 676.2529511
Overview
See also: Dilazep dihydrochloride (preferred).
Names & identifiers
- Preferred name
- Dilazep hydrochloride
- IUPAC
- 3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepane-1,4-diium-1-yl]propyl 3,4,5-trimethoxybenzoate dichloride
- English name
- Dilazep dihydrochloride
- Molecular formula
- C31H46Cl2N2O10
- Molecular weight
- 677.61
Names & synonyms
dilazep hydrochlorideCCRIS 3782EINECS 243-548-83-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepane-1,4-diium-1-yl]propyl 3,4,5-trimethoxybenzoate;dichlorideUNII-LV48LW10EODilazep dihydrochloride [JAN]DTXSID201017379HMS3261I19Tox21_500369CCG-221673LP00369NSC 760096
Show more names
cormelianastack-285C12954C-4898labitancomelianastac4898Delazeol HydrochlorideDilazep dihydrochloride
1,4-Bis(3-(3,4,5-trimethoxybenzoyloxy)-propyl)perhydro-1,4-diazepine dihydrochlorideN,N'-(Bis-omega-hydroxypropyl)homopiperazine 3,4,5-trimethoxybenzoate dihydrochlorideTetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol bis(3,4,5-trimethoxybenzoate) dihydrochlorideNCGC00093803-01NCGC00261054-01(Tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)di(propane-1,3-diyl) bis(3,4,5-trimethoxybenzoate) dihydrochlorideBenzoic acid, 3,4,5-trimethoxy-, diester with tetrahydro-1H-1,4-diazepine-1,4(5H)dipropanol, dihydrochlorideEU-0100369
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 18
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 727
Physicochemical properties
- Melting point
- 194 · 194-198° (monohydrate)
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: 10 mg/mL
- form
- powder
- color
- white
- Water Solubility
- 100 mM · Soluble to 100 mM in water
- InChIKey
- VILIWRRWAWKXRW-UHFFFAOYSA-N
- SMILES
- Cl[H].Cl[H].COc1cc(cc(OC)c1OC)C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2
- FDA UNII
- 48 LW10EO · LV48LW10EO
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- rtecs
- DI0250000
- Toxicity
- LD50 in male mice, male rats (mg/kg): 26.6, 19.1 i.v.; 161, 90.1 i.p.; 3740, >2150 orally (Abel)
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
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.
UsesDilazep dihydrochloride has been used in estrogen receptor (ERα) antagonistic assay. It has also been used as an equilibrative nucleoside transporter inhibitor (ENT 1 and 2) in cancer cell lines.
UsesVasodilatator;Adenosine uptake inhibitor
General DescriptionDilazep comprises central cyclicdiamine and phenyl rings connected via alkyl linkers.
Upstream & downstream products
Upstream raw materials
Suppliers32 total
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
仙桃市丽昭医药科技有限公司18571672902 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
InvivoChem中国13549236410 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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