NAV

Dimethylaminopropionylphenothiazine

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

Identification

Generic Name
Dimethylaminopropionylphenothiazine
DrugBank Accession Number
DB13672
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 298.4
Monoisotopic: 298.113984382
Chemical Formula
C17H18N2OS
Synonyms
Not Available
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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

ATC Codes
A03AC02 — Dimethylaminopropionylphenothiazine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzothiazines
Sub Class
Phenothiazines
Direct Parent
Phenothiazines
Alternative Parents
Diarylthioethers / Alpha amino acids and derivatives / Benzenoids / 1,4-thiazines / Tertiary carboxylic acid amides / Trialkylamines / Azacyclic compounds / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives
show 1 more
Substituents
Alpha-amino acid or derivatives / Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Aryl thioether / Azacycle / Benzenoid / Carbonyl group / Carboxamide group / Carboxylic acid derivative
show 14 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
phenothiazines (CHEBI:81224)
Affected organisms
Not Available

Chemical Identifiers

UNII
00435Z54H1
CAS number
63834-04-8
InChI Key
POZJNEBUHLZROM-UHFFFAOYSA-N
InChI
InChI=1S/C17H18N2OS/c1-12(18(2)3)17(20)19-13-8-4-6-10-15(13)21-16-11-7-5-9-14(16)19/h4-12H,1-3H3
IUPAC Name
2-(dimethylamino)-1-(10H-phenothiazin-10-yl)propan-1-one
SMILES
CC(N(C)C)C(=O)N1C2=CC=CC=C2SC2=CC=CC=C12

References

General References
Not Available
KEGG Compound
C17619
ChemSpider
102089
ChEBI
81224
ChEMBL
CHEMBL3707362
Wikipedia
Dimethylaminopropionylphenothiazine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.0303 mg/mLALOGPS
logP3.21ALOGPS
logP3.41Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)17.21Chemaxon
pKa (Strongest Basic)7.31Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area23.55 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity88.36 m3·mol-1Chemaxon
Polarizability32.1 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/MSsplash10-006t-3090000000-65b9f157c6849faa738f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0090000000-93248f62306573c115b3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dj-9070000000-74b938fe8076838f37ea
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-2590000000-39d2ea0519f45dd9e3dd
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uk9-8390000000-4d6ae1f0f0651593d1bc
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0900000000-c78bb611f888b3e085a6
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]-160.56062
predicted
DeepCCS 1.0 (2019)
[M+H]+162.91862
predicted
DeepCCS 1.0 (2019)
[M+Na]+169.01178
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:46 / Updated at June 12, 2020 16:53