NAV

Zicronapine

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

Identification

Generic Name
Zicronapine
DrugBank Accession Number
DB12188
Background

Zicronapine has been used in trials studying the treatment of Schizophrenia.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 354.92
Monoisotopic: 354.1862766
Chemical Formula
C22H27ClN2
Synonyms
  • Zicronapine
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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

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Indanes
Sub Class
Not Available
Direct Parent
Indanes
Alternative Parents
N-methylpiperazines / Aralkylamines / Benzene and substituted derivatives / Aryl chlorides / Trialkylamines / Azacyclic compounds / Organochlorides / Hydrocarbon derivatives
Substituents
1,4-diazinane / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Hydrocarbon derivative / Indane / Monocyclic benzene moiety
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
QZV11V7G6A
CAS number
170381-16-5
InChI Key
BYPMJBXPNZMNQD-PZJWPPBQSA-N
InChI
InChI=1S/C22H27ClN2/c1-22(2)15-25(12-11-24(22)3)21-14-19(16-7-5-4-6-8-16)18-10-9-17(23)13-20(18)21/h4-10,13,19,21H,11-12,14-15H2,1-3H3/t19-,21+/m0/s1
IUPAC Name
4-[(1R,3S)-6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine
SMILES
CN1CCN(CC1(C)C)[C@@H]1C[C@H](C2=C1C=C(Cl)C=C2)C1=CC=CC=C1

References

General References
Not Available
PubChem Compound
11465618
PubChem Substance
347828474
ChemSpider
9640456
ChEMBL
CHEMBL3039528
Wikipedia
Zicronapine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentSchizophrenia1
2CompletedTreatmentSchizophrenia3

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 Solubility0.00512 mg/mLALOGPS
logP5.1ALOGPS
logP5.03Chemaxon
logS-4.8ALOGPS
pKa (Strongest Basic)8.34Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area6.48 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity106.74 m3·mol-1Chemaxon
Polarizability41.06 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
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/MSsplash10-0a4i-0009000000-66ba695e2df5a7157416
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0009000000-1e5ed084076709d43d26
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0193000000-262787d9b02f30fdc975
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-1019000000-d8cc5d9b0438a8be3939
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-004l-4491000000-2d9c9d6de6b2ee587a5d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001j-3391000000-f4759da50fe17165f3ae
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]-189.0076
predicted
DeepCCS 1.0 (2019)
[M+H]+191.36559
predicted
DeepCCS 1.0 (2019)
[M+Na]+198.33745
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:34 / Updated at February 21, 2021 18:53