Structure & Deep Data of Perphenazine (C21H26ClN3OS)
Identification of Perphenazine Chemical Compound
Chemical Formula | C21H26ClN3OS |
---|---|
Molecular Weight | 403.96834 g/mol |
IUPAC Name | 2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethan-1-ol |
SMILES String | OCCN4CCN(CCCN2c1ccccc1Sc3ccc(Cl)cc23)CC4 |
InChI | InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2 |
InChIKey | RGCVKNLCSQQDEP-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The perphenazine molecule contains a total of 56 bond(s). There are 30 non-H bond(s), 12 multiple bond(s), 6 rotatable bond(s), 12 aromatic bond(s), 4 six-membered ring(s), 2 ten-membered ring(s), 2 tertiary amine(s) (aliphatic), 1 tertiary amine(s) (aromatic), 1 hydroxyl group(s), 1 primary alcohol(s), and 1 sulfide(s). Images of the chemical structure of perphenazine are given below:
The 2D chemical structure image of perphenazine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of perphenazine are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of perphenazine is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of perphenazine. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of perphenazine is provided here.
The perphenazine molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the perphenazine molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of perphenazine can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
Search Another Chemical Structure
Enter another compound to search for chemical structure:
Input example for Ethanol:
- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Deep Data Application Examples
Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:
- Thermophysical Property Datafile (IK-Cape File) for Process Simulators, e.g., Aspen Plus
- Free Radicals Thermodynamic Data for Oxidation, Combustion, and Thermal Cracking Kinetics
- Quantum Tools for IR Spectra Interpretation
- Instant Access to Molecular Orbitals
- Faster Quantum Calculations with Pre-Computed Results
- Chemical Big Data for Artificial Intelligence (AI) Developments
- Quantum Descriptors for QSAR·QSPR Modeling
- Deep Data Application Overview
Additional Information for Identifying Perphenazine Molecule
-
SMILES (Simplified Molecular-Input Line-Entry System) string of perphenazine
The SMILES string of perphenazine is OCCN4CCN(CCCN2c1ccccc1Sc3ccc(Cl)cc23)CC4, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the perphenazine.
-
Structure Data File (SDF/MOL File) of perphenazine
The structure data file (SDF/MOL File) of perphenazine is available for download in the SDF page of perphenazine, which provides the information about the atoms, bonds, connectivity and coordinates of perphenazine. The perphenazine structure data file can be imported to most of the cheminformatics software systems and applications.
-
Chemical formula of perphenazine
The molecular formula of perphenazine is available in chemical formula page of perphenazine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
-
Molecular weight of perphenazine
The molecular weight of perphenazine is available in molecular weight page of perphenazine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
-
Other names (synonyms) or registry numbers of perphenazine
The perphenazine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of perphenazine including the various registry numbers, if available:
- C-21783
- EN300-120640
- Trilafonreg
- Fentazinreg
- Decentanreg
- Perphenazine for system suitability, European Pharmacopoeia (EP) Reference Standard
- 2-(4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethanol #
- 2-[4-[3-(2-Chlorophenothiazin-10-yl)propyl]-piperazin-1-yl]ethanol
- 2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
- Perphenazine, United States Pharmacopeia (USP) Reference Standard
- 2-[4-[3-(2-chloro-10-phenothiazinyl)propyl]-1-piperazinyl]ethanol
- Perphenazine, European Pharmacopoeia (EP) Reference Standard
- Z1945707494
- W-105390
- SR-01000000137-2
- A831863
- J10210
- P1970
- PMS Perphenazine Concentrate Liq 3.2mg/ml
- SBI-0050904.P003
- MRF-0000509
- MFCD00056798
- CCG-39060
- BDBM50130273
- 1-Piperazineethanol, trihydrochloride
- HY-A0077
- Pharmakon1600-01503934
- HMS3370O14
- HMS3262J22
- HMS3259C09
- HMS2232D21
- HMS2095I12
- Perphenazine (JP17/USP/INN)
- Perphenazine (JP15/USP/INN)
- component of Triavil (Salt/Mix)
- GTPL209
- D010546
- PMS Perphenazine Tab 16mg
- PMS Perphenazine Tab 8mg
- PMS Perphenazine Tab 4mg
- PMS Perphenazine Tab 2mg
- Trilafon Conc 16mg/5ml
- Perphenazine 8 Tab 8mg
- Perphenazine 2 Tab 2mg
- FTA7XXY4EZ
- 1-Piperazineethanol, 4-[3-(2-chlorophenothiazin-10-yl)propyl]-, trihydrochloride
- Trilafon Syr 2mg/5ml
- nchembio873-comp26
- Perphenazine fendizoate
- Trilafon Inj 5mg/ml
- Perphenazine 16 Tab
- Perphenazine Tab 4mg
- Perphenazine Tab 2mg
- Etrafon (Salt/Mix)
- Phenazine 16 Tab
- Perphenazine [USP:INN:BAN:JAN]
- Trilafon Tab 8mg
- Trilafon Tab 4mg
- Trilafon Tab 2mg
- .gamma.-(4-(.beta.-Hydroxyethyl)piperazin-1-yl)propyl-2-chlorophenothiazine
- Phenazine 8 Tab
- Phenazine 4 Tab
- Phenazine 2 Tab
- Piperazineethanol, 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-
- 2-{4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazinyl}ethan-1-ol
- perphanzine
- 2-{4-[3-(2-Chloro-phenothiazin-10-yl)-propyl]-piperazin-1-yl}-ethanol
- .gamma.-[4-(.beta.-Hydroxyethyl)piperazin-1-yl]propyl-2-chlorophenothiazine
- 2-Chloro-10-3-[1-(2-hydroxyethyl)-4-piperazinyl]propyl phenothiazine
- SR-01000000137-4
- I06-1508
- BRD-K10995081-001-05-5
- L000919
- P 6402
- D00503
- 2-(4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethanol
- Piperazineethanol, 4-(3-(2-chloro-10H-phenothiazin-10-yl)propyl)-
- 1-(2-Hydroxyethyl)-4-[3-(2-chloro-10-phenothiazinyl)propyl]piperazine
- 1-Piperazineethanol, 4-[3-(2-chlorophenothiazin-10-yl)propyl]-
- 1',1-(2-Idrossietil)-4,3-(2-cloro-10-fenotiazil)propilpiperazina [Italian]
- SCH-3940
- 2-Chloro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazine
- 2-Chloro-10-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)phenothiazine
- 2-Chloro-10-(3-(1-(2-hydroxyethyl)-4-piperazinyl)propyl)phenothiazine
- HMS2093M15
- HMS1922M14
- HMS1568I12
- 1',1-(2-Idrossietil)-4,3-(2-cloro-10-fenotiazil)propilpiperazina
- 1-Piperazineethanol, 4-(3-(2-chlorophenothiazin-10-yl)propyl)-
- HMS502L22
- SPECTRUM1503934
- BIDD:GT0150
- 2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethanol
- CAS-58-39-9
- 4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazineethanol
- 2-Chloro-10-3-(1-(2-hydroxyethyl)-4-piperazinyl)propyl phenothiazine
- 2-[4-[3-(2-Chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
- 1-Piperazineethanol, 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-
- 1-Piperazineethanol, 4-(3-(2-chloro-10H-phenothiazin-10-yl)propyl)-
- Lopac-P-6402
- Perphenazine maleate
- Perphenazine [Trilafon]
- gamma-(4-(beta-Hydroxyethyl)piperazin-1-yl)propyl-2-chlorophenothiazine
- 1-(2-Hydroxyethyl)-4-(3-(2-chloro-10-phenothiazinyl)propyl)piperazine
- 4-[3-(2-Chlorophenothiazin-10-yl)propyl]-1-piperazineethanol
- 4-(3-(2-Chlorophenothiazin-10-yl)propyl)-1-piperazineethanol
- Perphenazine [INN:BAN:JAN]
- PZC
- Apo-Perphenazine
- 2-(4-(3-(2-Chloro-10H-phenothiazin-10-yl)propyl)piperazin-1-yl)ethanol
- Perphenazinum [INN-Latin]
- Perfenazina [INN-Spanish]
- C21H26ClN3OS
- Perfenazina [Italian]
- Perfenil
- Sch 3940
- Perphenazinum
- F-mon
- Chlorperphenazine
- Triphenot
- Trifaron
- Tranquisan
- Perfenazina
- Chlorpiprazine
- Trilifan
- Emesinal
- Thilatazin
- Ethaperazine
- Etaperazin
- Perphenan
- Etaperazine
- Decentan
- Fentazin
- Perfenazine
- Perphenazin
- Trilafon
- 58-39-9
- perphenazine
- BAS 00139131
Perphenazine Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of perphenazine? |
---|
C21H26ClN3OS |
How many atoms and what are the elements included the perphenazine molecule? |
53 atom(s) - 26 Hydrogen atom(s), 21 Carbon atom(s), 3 Nitrogen atom(s), 1 Oxygen atom(s), 1 Sulfur atom(s), and 1 Chlorine atom(s) |
How many chemical bonds and what kind of bonds are included the perphenazine structure? |
56 bond(s) - 30 non-H bond(s), 12 multiple bond(s), 6 rotatable bond(s), 12 aromatic bond(s), 4 six-membered ring(s), 2 ten-membered ring(s), 2 tertiary amine(s) (aliphatic), 1 tertiary amine(s) (aromatic), 1 hydroxyl group(s), 1 primary alcohol(s), and 1 sulfide(s) |
What’s the perphenazine’s molecular weight? |
403.96834 g/mol |
What’s the SMILES code of perphenazine? |
OCCN4CCN(CCCN2c1ccccc1Sc3ccc(Cl)cc23)CC4 |
What’s the InChI string of perphenazine? |
InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2 |
What’s the InChIKey code of perphenazine? |
RGCVKNLCSQQDEP-UHFFFAOYSA-N |
1238
The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).