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Guanoclor

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

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Identification

Generic Name
Guanoclor
DrugBank Accession Number
DB13779
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 263.12
Monoisotopic: 262.0388164
Chemical Formula
C9H12Cl2N4O
Synonyms
  • Guanoclor
  • Guanocloro
  • Guanoclorum
External IDs
  • NSC-108163
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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.
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AbaloparatideAbaloparatide may increase the hypotensive activities of Guanoclor.
AcebutololAcebutolol may increase the hypotensive activities of Guanoclor.
AceclofenacThe therapeutic efficacy of Guanoclor can be decreased when used in combination with Aceclofenac.
AcemetacinThe therapeutic efficacy of Guanoclor can be decreased when used in combination with Acemetacin.
Acetylsalicylic acidAcetylsalicylic acid may decrease the antihypertensive activities of Guanoclor.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Guanoclor sulfateQ1U97XK18R551-48-4OLLMPVQGLMNQQK-UHFFFAOYSA-N
International/Other Brands
Vatensol

Categories

ATC Codes
C02CC05 — Guanoclor
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Halobenzenes
Direct Parent
Dichlorobenzenes
Alternative Parents
Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / Aryl chlorides / Guanidines / Hydrazones / Organopnictogen compounds / Organochlorides / Hydrocarbon derivatives
Substituents
1,3-dichlorobenzene / Alkyl aryl ether / Aromatic homomonocyclic compound / Aryl chloride / Aryl halide / Ether / Guanidine / Hydrazone / Hydrocarbon derivative / Organic nitrogen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
M4HBT852YO
CAS number
5001-32-1
InChI Key
XIHXRRMCNSMUET-UHFFFAOYSA-N
InChI
InChI=1S/C9H12Cl2N4O/c10-6-2-1-3-7(11)8(6)16-5-4-14-15-9(12)13/h1-3,14H,4-5H2,(H4,12,13,15)
IUPAC Name
N-{[2-(2,6-dichlorophenoxy)ethyl]amino}guanidine
SMILES
NC(=N)NNCCOC1=C(Cl)C=CC=C1Cl

References

General References
Not Available
ChemSpider
64857
ChEBI
135992
ChEMBL
CHEMBL2110641
ZINC
ZINC000001598139
Wikipedia
Guanoclor

Clinical Trials

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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 Solubility0.392 mg/mLALOGPS
logP0.99ALOGPS
logP1.61Chemaxon
logS-2.8ALOGPS
pKa (Strongest Basic)11.22Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area83.16 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity95.32 m3·mol-1Chemaxon
Polarizability24.99 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-MSsplash10-0006-9400000000-08538119392535018ece
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0390000000-16c6a58b44c483775466
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-08g0-7980000000-df97b501907869a3dc72
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-5190000000-b4184046d38fd87d3a87
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9100000000-21f41bf548721a47a58f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0k96-9600000000-052c4e7c9dc2b44a2ae1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9100000000-eaef323ab6734a9d749c
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]-149.03696
predicted
DeepCCS 1.0 (2019)
[M+H]+151.39497
predicted
DeepCCS 1.0 (2019)
[M+Na]+158.31946
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:48 / Updated at February 21, 2021 18:54