Molecular Weight 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 |
Molecular Weight Description
The perphenazine molecule consists of 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) - a total of 53 atom(s). The molecular weight of perphenazine is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 403.96834 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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Additional Information for Identifying Perphenazine Molecule
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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 on atoms, bonds, connectivity and coordinates of perphenazine. The perphenazine structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of perphenazine
The molecular structure image of perphenazine is available in chemical structure page of perphenazine, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in perphenazine and the chemical bonds that hold the atoms together.
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Chemical formula of perphenazine
The molecular formula of perphenazine is given 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.
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InChI (IUPAC International Chemical Identifier) information of perphenazine
In addition to the molecular weight information, the structural information of perphenazine in a textual expression is available via InChi. The full standard InChI of perphenazine is given below:
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
It can provide a way to encode the molecular information of perphenazine to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of perphenazine is:
InChIKey=RGCVKNLCSQQDEP-UHFFFAOYSA-N
It may allow easier web searches for perphenazine. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the perphenazine as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of perphenazine
There may be different names of the perphenazine compound depending on the various situations of industrial applications, which are given below including the 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 formula of perphenazine? |
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C21H26ClN3OS |
How many atoms and what are the elements in 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 types of bonds are in 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 molar mass of perphenazine? |
403.96834 g/mol |
What’s the SMILES format of perphenazine? |
OCCN4CCN(CCCN2c1ccccc1Sc3ccc(Cl)cc23)CC4 |
What’s the InChI format 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 string of perphenazine? |
RGCVKNLCSQQDEP-UHFFFAOYSA-N |
449
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).