SDF/Mol File 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 |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of perphenazine is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of perphenazine molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Perphenazine Molecule
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Chemical structure of perphenazine
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of perphenazine is available in chemical structure page of perphenazine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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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 masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of perphenazine
The chemical 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
An alternative way of expressing structural information in text format is InChI. The full standard InChI of perphenazine is:
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 standard 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
The InChIKey may allow easier web searches for perphenazine, but it needs to be linked to the full InChI to get back to the original structure of the perphenazine since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of perphenazine
The perphenazine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of perphenazine including the registry numbers are listed below, 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 perphenazine formula? |
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C21H26ClN3OS |
How many atoms and what elements are included 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 kind 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 perphenazine’s molar mass? |
403.96834 g/mol |
What’s the SMILES structure of perphenazine? |
OCCN4CCN(CCCN2c1ccccc1Sc3ccc(Cl)cc23)CC4 |
What’s the InChI code 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 format of perphenazine? |
RGCVKNLCSQQDEP-UHFFFAOYSA-N |
266
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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).