Biguanide

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

Identification

Name
Biguanide
Accession Number
DB13100
Type
Small Molecule
Groups
Approved, Investigational
Description

Biguanide has been investigated for the treatment of Diabetes Mellitus.

Structure
Thumb
Synonyms
Not Available
Categories
Not Available
UNII
FB4Q52I9K2
CAS number
56-03-1
Weight
Average: 101.113
Monoisotopic: 101.070145245
Chemical Formula
C2H7N5
InChI Key
XNCOSPRUTUOJCJ-UHFFFAOYSA-N
InChI
InChI=1S/C2H7N5/c3-1(4)7-2(5)6/h(H7,3,4,5,6,7)
IUPAC Name
carbamimidamidomethanimidamide
SMILES
NC(=N)NC(N)=N

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Compound
C07672
PubChem Compound
5939
PubChem Substance
347829224
ChemSpider
5726
ChEBI
3095
Wikipedia
Biguanide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1RecruitingTreatmentNeoplasms, Brain1
2Not Yet RecruitingTreatmentProstate Cancer1
3CompletedTreatmentDiabetes Mellitus (DM)1
3CompletedTreatmentType 2 Diabetes Mellitus3
4RecruitingTreatmentAtherosclerosis / Diabetes Mellitus (DM) / Restenosis1

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 Solubility1.81 mg/mLALOGPS
logP-2.1ALOGPS
logP-1.5ChemAxon
logS-1.8ALOGPS
pKa (Strongest Basic)12.06ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area111.77 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity46.57 m3·mol-1ChemAxon
Polarizability9.4 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
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-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as biguanides. These are organic compounds containing two N-linked guanidines.
Kingdom
Organic compounds
Super Class
Organic nitrogen compounds
Class
Organonitrogen compounds
Sub Class
Guanidines
Direct Parent
Biguanides
Alternative Parents
Carboximidamides / Organopnictogen compounds / Imines / Hydrocarbon derivatives
Substituents
Biguanide / Carboximidamide / Organopnictogen compound / Hydrocarbon derivative / Imine / Aliphatic acyclic compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
guanidines (CHEBI:3095)

Drug created on October 20, 2016 21:05 / Updated on November 02, 2018 07:34