NAV

Metahexamide

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

Identification

Generic Name
Metahexamide
DrugBank Accession Number
DB13675
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 311.4
Monoisotopic: 311.130362722
Chemical Formula
C14H21N3O3S
Synonyms
  • Metahexamide
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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
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
Integrate drug-drug
interactions in your software
AbataceptThe metabolism of Metahexamide can be increased when combined with Abatacept.
AbrocitinibThe metabolism of Abrocitinib can be decreased when combined with Metahexamide.
AcarboseThe risk or severity of hypoglycemia can be increased when Acarbose is combined with Metahexamide.
AcebutololThe therapeutic efficacy of Metahexamide can be increased when used in combination with Acebutolol.
AceclofenacThe protein binding of Metahexamide can be decreased when combined with Aceclofenac.
Food Interactions
Not Available

Categories

ATC Codes
A10BB10 — Metahexamide
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzenesulfonamides
Direct Parent
Aminobenzenesulfonamides
Alternative Parents
Benzenesulfonyl compounds / Aniline and substituted anilines / Aminotoluenes / Sulfonylureas / Organosulfonic acids and derivatives / Aminosulfonyl compounds / Organic carbonic acids and derivatives / Primary amines / Organopnictogen compounds / Organic oxides
show 2 more
Substituents
Amine / Aminobenzenesulfonamide / Aminosulfonyl compound / Aminotoluene / Aniline or substituted anilines / Aromatic homomonocyclic compound / Benzenesulfonyl group / Carbonic acid derivative / Carbonyl group / Hydrocarbon derivative
show 13 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
T3U6F5D722
CAS number
565-33-3
InChI Key
XXYTXQGCRQLRHA-UHFFFAOYSA-N
InChI
InChI=1S/C14H21N3O3S/c1-10-7-8-12(9-13(10)15)21(19,20)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6,15H2,1H3,(H2,16,17,18)
IUPAC Name
3-(3-amino-4-methylbenzenesulfonyl)-1-cyclohexylurea
SMILES
CC1=CC=C(C=C1N)S(=O)(=O)NC(=O)NC1CCCCC1

References

General References
Not Available
ChemSpider
10785
ChEBI
135328
ChEMBL
CHEMBL507419
ZINC
ZINC000003831047
Wikipedia
Metahexamide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
Not AvailableCompletedNot AvailableType 2 Diabetes Mellitus3

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 Solubility0.228 mg/mLALOGPS
logP2.02ALOGPS
logP1.94Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)4.32Chemaxon
pKa (Strongest Basic)2.21Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area101.29 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity82.11 m3·mol-1Chemaxon
Polarizability32.51 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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0a5d-9640000000-e5cf2497dc18ecc53856
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-074i-0903000000-498907d2fa7262c08f8f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0902000000-880f62e9440a65c4d0e3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-1900000000-76ab6f7817d76068f6cc
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-2912000000-0fa076b94876edc167b1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4l-6930000000-6754d009b1801a40465f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000f-9620000000-e74103ebd9e13fd902f3
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]-187.3665776
predicted
DarkChem Lite v0.1.0
[M-H]-173.46098
predicted
DeepCCS 1.0 (2019)
[M+H]+187.9178776
predicted
DarkChem Lite v0.1.0
[M+H]+175.81898
predicted
DeepCCS 1.0 (2019)
[M+Na]+187.4943776
predicted
DarkChem Lite v0.1.0
[M+Na]+181.91212
predicted
DeepCCS 1.0 (2019)

Enzymes

Details1. Cytochrome P450 2C9
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Substrate
General Function
Steroid hydroxylase activity
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
CYP2C9
Uniprot ID
P11712
Uniprot Name
Cytochrome P450 2C9
Molecular Weight
55627.365 Da

Drug created at June 23, 2017 20:46 / Updated at February 21, 2021 18:54