NAV

Meladrazine

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

Identification

Generic Name
Meladrazine
DrugBank Accession Number
DB13272
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 253.354
Monoisotopic: 253.201493769
Chemical Formula
C11H23N7
Synonyms
  • Meladrazina
  • Meladrazine
  • Méladrazine
  • Meladrazinum
External IDs
  • CIBA 13155
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Pharmacology

Indication

Not Available

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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.
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VibegronMeladrazine may increase the smooth muscle relaxing activities of Vibegron.
Food Interactions
Not Available

Products

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International/Other Brands
Lisidonil

Categories

ATC Codes
G04BD03 — Meladrazine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine groups.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Triazines
Sub Class
Aminotriazines
Direct Parent
1,3,5-triazine-2,4-diamines
Alternative Parents
Dialkylarylamines / N-aliphatic s-triazines / 1,3,5-triazines / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives / Hydrazines and derivatives
Substituents
1,3,5-triazine / 2,4-diamine-s-triazine / Aromatic heteromonocyclic compound / Azacycle / Dialkylarylamine / Heteroaromatic compound / Hydrazine derivative / Hydrocarbon derivative / N-aliphatic s-triazine / Organic nitrogen compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
2V6Z0JG2X0
CAS number
13957-36-3
InChI Key
IRQOBYXMACIFKD-UHFFFAOYSA-N
InChI
InChI=1S/C11H23N7/c1-5-17(6-2)10-13-9(16-12)14-11(15-10)18(7-3)8-4/h5-8,12H2,1-4H3,(H,13,14,15,16)
IUPAC Name
N2,N2,N4,N4-tetraethyl-6-hydrazinylidene-3,6-dihydro-1,3,5-triazine-2,4-diamine
SMILES
CCN(CC)C1=NC(=NN)N=C(N1)N(CC)CC

References

General References
Not Available
ChemSpider
64733
ChEBI
135034
ChEMBL
CHEMBL2105242
ZINC
ZINC000005650290
Wikipedia
Meladrazine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.527 mg/mLALOGPS
logP1.32ALOGPS
logP0.67Chemaxon
logS-2.7ALOGPS
pKa (Strongest Acidic)13Chemaxon
pKa (Strongest Basic)10.49Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area81.61 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity74.76 m3·mol-1Chemaxon
Polarizability28.8 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-MSsplash10-009i-3290000000-aadaf419897013a1c241
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-2c7761da2575ed428d1e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uk9-4090000000-49b8cc50ccc415ce1c4a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-e476c2d37a49f3977f82
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-006x-0970000000-dcb99213d7334b57ec23
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pba-0940000000-a83de3083c1fdbe68d23
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001l-9710000000-8197c922b5c7c3cef564
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]-174.9732609
predicted
DarkChem Lite v0.1.0
[M-H]-158.39302
predicted
DeepCCS 1.0 (2019)
[M+H]+175.6686609
predicted
DarkChem Lite v0.1.0
[M+H]+160.75102
predicted
DeepCCS 1.0 (2019)
[M+Na]+175.6933609
predicted
DarkChem Lite v0.1.0
[M+Na]+166.84416
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:38 / Updated at February 21, 2021 18:54