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Dilazep

CAT: 1299-RM-D092900-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D092900-01Size:10 mg
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CAS Number
35898-87-4
Synonyms
(1,4-diazepane-1,4-diyl) bis (propane-3,1-diyl) bis (3,4,5-trimethoxybenzoate)
Molecular Formula
C31H44N2O10
Molecular Weight
604.69
Target Alternative Name
Dilazep
Product Name Synonym
(1,4-diazepane-1,4-diyl) bis (propane-3,1-diyl) bis (3,4,5-trimethoxybenzoate)

Chemical Information

Dilazep

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+).

CAS Number35898-87-4
PubChem CID3074
IUPAC Name3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate
Molecular FormulaC31H44N2O10
Molecular Weight604.7
XLogP4.1
Topological Polar Surface Area114
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count18
Heavy Atom Count43
Formal Charge0
Complexity727
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2CCCN(CC2)CCCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4/h18-21H,7-17H2,1-6H3
InChIKey
QVZCXCJXTMIDME-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dilazep
CAS: 35898-87-4
CID: 3074
Formula: C31H44N2O10
MW: 604.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight604.7
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count18
Exact Mass604.29959560
Monoisotopic Mass604.29959560
Topological Polar Surface Area114 Ų
Heavy Atom Count43
Formal Charge0
Complexity727
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19242979-01Dilazep
255145Dilazep dihydrochloride
598179Dilazep HCl
HY-100957-01Dilazep (dihydrochloride)
HY-100957R-01Dilazep (dihydrochloride) (Standard)

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