NAV

Cadralazine

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

Identification

Generic Name
Cadralazine
DrugBank Accession Number
DB13452
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 283.3268
Monoisotopic: 283.164439563
Chemical Formula
C12H21N5O3
Synonyms
  • Cadralazina
  • Cadralazine
  • Cadralazinum
External IDs
  • ISF 2469
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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 Cadralazine.
AcebutololAcebutolol may increase the hypotensive activities of Cadralazine.
AceclofenacThe therapeutic efficacy of Cadralazine can be decreased when used in combination with Aceclofenac.
AcemetacinThe therapeutic efficacy of Cadralazine can be decreased when used in combination with Acemetacin.
Acetylsalicylic acidAcetylsalicylic acid may decrease the antihypertensive activities of Cadralazine.
Food Interactions
Not Available

Products

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International/Other Brands
Cadral

Categories

ATC Codes
C02DB04 — Cadralazine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
Kingdom
Organic compounds
Super Class
Organic nitrogen compounds
Class
Organonitrogen compounds
Sub Class
Amines
Direct Parent
Dialkylarylamines
Alternative Parents
Aminopyridazines / Imidolactams / Heteroaromatic compounds / Secondary alcohols / Organic carbonic acids and derivatives / Azacyclic compounds / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Alcohol / Aminopyridazine / Aromatic heteromonocyclic compound / Azacycle / Carbonic acid derivative / Carbonyl group / Dialkylarylamine / Heteroaromatic compound / Hydrocarbon derivative / Imidolactam
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
8T96I3U713
CAS number
64241-34-5
InChI Key
QLTVVOATEHFXLT-UHFFFAOYSA-N
InChI
InChI=1S/C12H21N5O3/c1-4-17(8-9(3)18)11-7-6-10(13-15-11)14-16-12(19)20-5-2/h6-7,9,18H,4-5,8H2,1-3H3,(H,13,14)(H,16,19)
IUPAC Name
N'-{6-[ethyl(2-hydroxypropyl)amino]pyridazin-3-yl}ethoxycarbohydrazide
SMILES
CCOC(=O)NNC1=NN=C(C=C1)N(CC)CC(C)O

References

General References
Not Available
Human Metabolome Database
HMDB0041845
KEGG Drug
D01804
ChemSpider
2420
ChEBI
31331
ChEMBL
CHEMBL2106561
Wikipedia
Cadralazine

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.635 mg/mLALOGPS
logP1.23ALOGPS
logP1.23Chemaxon
logS-2.6ALOGPS
pKa (Strongest Acidic)12.88Chemaxon
pKa (Strongest Basic)3.37Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area99.61 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity78.74 m3·mol-1Chemaxon
Polarizability30.19 Å3Chemaxon
Number of Rings1Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-01bi-2290000000-abdbcb5e600780f41497
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0090000000-e9a9b223a30de891a3ac
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00xs-0090000000-c98c97327e13e356cfa4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-6f70246133206e964b54
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0005-9100000000-0048527b7d6783973c49
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-008i-0940000000-26e3d2c1614cfcd4bc3c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0zg0-1930000000-8d3e4d459ce515bee892
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]-183.4252544
predicted
DarkChem Lite v0.1.0
[M-H]-165.26242
predicted
DeepCCS 1.0 (2019)
[M+H]+182.5559544
predicted
DarkChem Lite v0.1.0
[M+H]+167.62044
predicted
DeepCCS 1.0 (2019)
[M+Na]+182.7617544
predicted
DarkChem Lite v0.1.0
[M+Na]+173.71358
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:42 / Updated at February 21, 2021 18:54