NAV

Dihydralazine

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

Identification

Generic Name
Dihydralazine
DrugBank Accession Number
DB12945
Background

Dihydralazine is under investigation in clinical trial NCT00311974 (The Effect of Dihydralazine on Kidney Function and Hormones in Healthy Individuals).

Type
Small Molecule
Groups
Approved, Experimental
Structure
3D
Similar Structures
Weight
Average: 190.21
Monoisotopic: 190.096694346
Chemical Formula
C8H10N6
Synonyms
  • Dihidralazina
  • Dihydralazine
  • Dihydralazinum
  • Dihydrallazin
  • Dihydrazinophthalazine
External IDs
  • C 7441
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
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interactions in your software
AbaloparatideAbaloparatide may increase the hypotensive activities of Dihydralazine.
AbametapirThe serum concentration of Dihydralazine can be increased when it is combined with Abametapir.
AbataceptThe metabolism of Dihydralazine can be increased when combined with Abatacept.
AbirateroneThe serum concentration of Dihydralazine can be increased when it is combined with Abiraterone.
AcebutololAcebutolol may increase the hypotensive activities of Dihydralazine.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Dihydralazine sulfate1C2B1W91NK7327-87-9BWHAMWGGORIDBK-UHFFFAOYSA-N

Categories

ATC Codes
C02LG01 — Dihydralazine and diureticsC02LG51 — Dihydralazine and diuretics, combinations with other drugsC02DB01 — Dihydralazine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phthalazines. These are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazanaphthalenes
Sub Class
Benzodiazines
Direct Parent
Phthalazines
Alternative Parents
Pyridazines and derivatives / Imidolactams / Benzenoids / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives / Hydrazines and derivatives
Substituents
Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Heteroaromatic compound / Hydrazine derivative / Hydrocarbon derivative / Imidolactam / Organic nitrogen compound / Organonitrogen compound / Organopnictogen compound
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
PCU411F5L6
CAS number
484-23-1
InChI Key
VQKLRVZQQYVIJW-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N6/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7/h1-4H,9-10H2,(H,11,13)(H,12,14)
IUPAC Name
1,4-dihydrazinylphthalazine
SMILES
NNC1=C2C=CC=CC2=C(NN)N=N1

References

General References
Not Available
PubChem Compound
10230
PubChem Substance
347829088
ChemSpider
9813
BindingDB
50088433
RxNav
3409
ChEBI
134841
ChEMBL
CHEMBL35505
ZINC
ZINC000004474539
Wikipedia
Dihydralazine

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
4CompletedNot AvailableHealthy Subjects (HS)1
3RecruitingTreatmentSevere Aortic Stenosis1

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 Solubility0.996 mg/mLALOGPS
logP0.86ALOGPS
logP0.74Chemaxon
logS-2.3ALOGPS
pKa (Strongest Basic)7.84Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area101.88 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity60.26 m3·mol-1Chemaxon
Polarizability19.1 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-0006-0900000000-5de6a8032edff9a499ce
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-05gm-0900000000-ca207a8527d52922fb35
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0900000000-d6bbff451ecef11696d2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uyi-2900000000-945b3e91aacb4989ff3b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-06ri-0900000000-813048395942f821efe2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ufr-2900000000-0a999848bc33c2d3f775
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-146.590054
predicted
DarkChem Lite v0.1.0
[M-H]-136.03917
predicted
DeepCCS 1.0 (2019)
[M+H]+147.398054
predicted
DarkChem Lite v0.1.0
[M+H]+139.8665
predicted
DeepCCS 1.0 (2019)
[M+Na]+147.055654
predicted
DarkChem Lite v0.1.0
[M+Na]+149.04724
predicted
DeepCCS 1.0 (2019)

Enzymes

Details1. Cytochrome P450 1A2
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Substrate
Inhibitor
General Function
Oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally un...
Gene Name
CYP1A2
Uniprot ID
P05177
Uniprot Name
Cytochrome P450 1A2
Molecular Weight
58293.76 Da
References
  1. Masubuchi Y, Horie T: Dihydralazine-induced inactivation of cytochrome P450 enzymes in rat liver microsomes. Drug Metab Dispos. 1998 Apr;26(4):338-42. [Article]
  2. Masubuchi Y, Horie T: Mechanism-based inactivation of cytochrome P450s 1A2 and 3A4 by dihydralazine in human liver microsomes. Chem Res Toxicol. 1999 Oct;12(10):1028-32. [Article]
  3. Belloc C, Gauffre A, Andre C, Beaune PH: Epitope mapping of human CYP1A2 in dihydralazine-induced autoimmune hepatitis. Pharmacogenetics. 1997 Jun;7(3):181-6. [Article]

Drug created at October 21, 2016 01:32 / Updated at February 21, 2021 18:54