NAV

Homochlorcyclizine

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

Identification

Generic Name
Homochlorcyclizine
DrugBank Accession Number
DB15979
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 314.86
Monoisotopic: 314.1549764
Chemical Formula
C19H23ClN2
Synonyms
  • Homochlorcyclizine
  • Homochlorcyclizinum
  • Homoclorociclizina
External IDs
  • 212-699-1
  • NSC-25132
  • SA-97
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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.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Homochlorcyclizine dihydrochlorideM1YE3TK8NA1982-36-1JLVFQWFTNVMTEG-UHFFFAOYSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
N5MVC31W2N
CAS number
848-53-3
InChI Key
WEUCDJCFJHYFRL-UHFFFAOYSA-N
InChI
InChI=1S/C19H23ClN2/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17/h2-4,6-11,19H,5,12-15H2,1H3
IUPAC Name
1-[(4-chlorophenyl)(phenyl)methyl]-4-methyl-1,4-diazepane
SMILES
CN1CCCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1

References

General References
Not Available
Human Metabolome Database
HMDB0240243
ChemSpider
3501
BindingDB
77969
ChEBI
91588
ChEMBL
CHEMBL1515447
Wikipedia
Homochlorcyclizine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Tablet10 mg
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0188 mg/mLALOGPS
logP4.53ALOGPS
logP4.21Chemaxon
logS-4.2ALOGPS
pKa (Strongest Basic)8.63Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area6.48 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity94.6 m3·mol-1Chemaxon
Polarizability35.21 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0019000000-052ec356122a24b6649a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-1009000000-42486efd25ab8fd0eb3c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gb9-0069000000-e13d42083e33cfceea8d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0092000000-80ce0720d9dd9990f5ff
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9300000000-786cef19324421f10b8d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0h00-6690000000-85cc4d72755b07ba588c
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]-171.68604
predicted
DarkChem Lite v0.1.0
[M-H]-171.74074
predicted
DeepCCS 1.0 (2019)
[M+H]+172.35924
predicted
DarkChem Lite v0.1.0
[M+H]+174.09874
predicted
DeepCCS 1.0 (2019)
[M+Na]+172.41414
predicted
DarkChem Lite v0.1.0
[M+Na]+180.19188
predicted
DeepCCS 1.0 (2019)

Drug created at December 03, 2020 22:17 / Updated at February 21, 2021 18:55