Dilazep

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Dilazep
DrugBank Accession Number
DB13715
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 604.697
Monoisotopic: 604.299595625
Chemical Formula
C31H44N2O10
Synonyms
  • Dilazep

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
IloprostIloprost may increase the hypotensive activities of Dilazep.
Isosorbide mononitrateDilazep may increase the vasodilatory activities of Isosorbide mononitrate.
Patent BlueThe therapeutic efficacy of Dilazep can be decreased when used in combination with Patent Blue.
Food Interactions
Not Available

Categories

ATC Codes
C01DX10 — Dilazep
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Gallic acid and derivatives
Alternative Parents
P-methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives / Benzoic acid esters / Phenoxy compounds / Methoxybenzenes / Benzoyl derivatives / Anisoles / 1,4-diazepanes / Alkyl aryl ethers / Dicarboxylic acids and derivatives
show 7 more
Substituents
1,4-diazepane / Alkyl aryl ether / Amine / Amino acid or derivatives / Anisole / Aromatic heteromonocyclic compound / Azacycle / Benzoate ester / Benzoyl / Carboxylic acid derivative
show 20 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
F8KLC2BD5Z
CAS number
35898-87-4
InChI Key
QVZCXCJXTMIDME-UHFFFAOYSA-N
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
IUPAC Name
3-{4-[3-(3,4,5-trimethoxybenzoyloxy)propyl]-1,4-diazepan-1-yl}propyl 3,4,5-trimethoxybenzoate
SMILES
COC1=CC(=CC(OC)=C1OC)C(=O)OCCCN1CCCN(CCCOC(=O)C2=CC(OC)=C(OC)C(OC)=C2)CC1

References

General References
Not Available
ChemSpider
2965
BindingDB
50017691
ChEBI
92842
ChEMBL
CHEMBL126075
ZINC
ZINC000022454221
PDBe Ligand
8DZ
Wikipedia
Dilazep
PDB Entries
6ob7

Clinical Trials

Clinical Trials
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Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0502 mg/mLALOGPS
logP3.21ALOGPS
logP2.88Chemaxon
logS-4.1ALOGPS
pKa (Strongest Basic)9.54Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count10Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area114.46 Å2Chemaxon
Rotatable Bond Count18Chemaxon
Refractivity161.64 m3·mol-1Chemaxon
Polarizability66.89 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0aba-0802349000-4c205cf9119f40731500
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0120019000-74f030309513b67280da
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0c00-0200494000-ee5165873219d97c7483
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0111491000-b52400880737bd9103a2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gx1-0904021000-3d6d32f82d02d21d936d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0gb9-0310090000-dec7034adc07bd8ffb9d
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-272.8259406
predicted
DarkChem Lite v0.1.0
[M-H]-222.88275
predicted
DeepCCS 1.0 (2019)
[M+H]+273.1322406
predicted
DarkChem Lite v0.1.0
[M+H]+225.27832
predicted
DeepCCS 1.0 (2019)
[M+Na]+231.19083
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:47 / Updated at February 21, 2021 18:54