Structure & Deep Data of Chlorpromazine (C17H19ClN2S)
Identification of Chlorpromazine Chemical Compound
Chemical Formula | C17H19ClN2S |
---|---|
Molecular Weight | 318.86386 g/mol |
IUPAC Name | [3-(2-chloro-10H-phenothiazin-10-yl)propyl]dimethylamine |
SMILES String | CN(C)CCCN2c1ccccc1Sc3ccc(Cl)cc23 |
InChI | InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 |
InChIKey | ZPEIMTDSQAKGNT-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 chlorpromazine molecule contains a total of 42 bond(s). There are 23 non-H bond(s), 12 multiple bond(s), 4 rotatable bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 2 ten-membered ring(s), 1 tertiary amine(s) (aliphatic), 1 tertiary amine(s) (aromatic), and 1 sulfide(s). Images of the chemical structure of chlorpromazine are given below:
The 2D chemical structure image of chlorpromazine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of chlorpromazine 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 chlorpromazine 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 chlorpromazine. 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 chlorpromazine is provided here.
The chlorpromazine 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 chlorpromazine 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 chlorpromazine 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.
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Additional Information for Identifying Chlorpromazine Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of chlorpromazine
The SMILES string of chlorpromazine is CN(C)CCCN2c1ccccc1Sc3ccc(Cl)cc23, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the chlorpromazine.
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Structure Data File (SDF/MOL File) of chlorpromazine
The structure data file (SDF/MOL File) of chlorpromazine is available for download in the SDF page of chlorpromazine, which provides the information about the atoms, bonds, connectivity and coordinates of chlorpromazine. The chlorpromazine structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of chlorpromazine
The molecular formula of chlorpromazine is available in chemical formula page of chlorpromazine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of chlorpromazine
The molecular weight of chlorpromazine is available in molecular weight page of chlorpromazine, 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.
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Other names (synonyms) or registry numbers of chlorpromazine
The chlorpromazine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of chlorpromazine including the various registry numbers, if available:
- [3-(2-chloro-10H-phenothiazin-10-yl)propyl]dimethylamine hydrochloride
- Thorazinereg
- Largactilreg
- Chlorpromazine;[3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine
- [3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine(clorpromazine)
- [3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine( Chlorpromazine)
- [3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine (chlor-promazine)
- (chlorpromazine)[3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine
- (chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine
- 3-(2-Chloro-10H-phenothiazin-10-yl)-N,N-dimethyl-1-propanamine #
- 1N,1N-dimethyl-3-(2-chloro-10H-10-phenothiazinyl)-1-propanamine
- 3B1-005681
- AB00051943-16
- AB00051943-15
- M-1209
- J10069
- 2601-A
- R1242
- SBI-0050237.P004
- M176
- Chlorpromanyl 40 Drops Syr 44.5mg/ml
- Chlorpromazine Hydrochloride Injection
- Chlorpromazine HCl Inj 25mg/ml USP
- CCG-40059
- BDBM50001888
- Chlorpromazine Tablets B.P. 100mg
- Chlorpromazine HCl Inj 27.9mg/ml
- ALBB-022464
- Chlorpromazine Tablets B.P. 50mg
- Chlorpromazine Tablets B.P. 25mg
- Pharmakon1600-01500184
- KUC112482N
- HMS3430C19
- QSPL 401
- Novo-chlorpromazine Tab 10mg
- 2-Chloro-10-(3-dimethylaminopropyl)phenothiazine
- U42B7VYA4P
- Chlorpromazine HCl Inj USP
- Novo-chlorpromazine 200mg
- GTPL83
- Epitope ID:136898
- Largactil Drops 40mg/ml
- Chlorpromazine Tab 25mg
- 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine hydrochloride
- Norcozine (Salt/Mix)
- Largactil Sup 100mg
- Chlorprom Tab 100mg
- Chlorpromanyl 20 Syr
- Tranzine (Salt/Mix)
- Lomazine (Salt/Mix)
- Hibernal (Salt/Mix)
- Chlorprom Tab 50mg
- Chlorprom Tab 25mg
- GG 407
- Largactil 100
- Teva-chlorpromazine
- Largactil 50
- Largactil 25
- Apo Chlorpromazine
- Chlorpromazine [USP:INN:BAN]
- Chlorpromanyl
- Z80
- CAS-50-53-3
- [3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine
- SR-01000000012-5
- I14-6226
- 2-chloro-10-(3-(dimethylamino)propyl)-phenothiazine
- L000182
- 10-(3-Dimethylaminopropyl)-2-chlorophenothiazine
- D00270
- 10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, radical ion(1+)
- 2601A
- 2-chloro-10-[3-(dimethylamino)propyl]-
- BAS 00010434
- 4560 R.P
- 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
- CAS-69-09-0
- 34468-21-8
- Unitensen
- SKF-2601
- HMS2091E06
- HMS2089C12
- HMS1920M03
- 3-(2-Chloro-10H-phenothiazin-10-yl)-N,N-dimethyl-1-propanamine
- SKF 2601A
- HMS501P06
- Chloro-3 (dimethylamino-3 propyl)-10 phenothiazine [French]
- JHICC02042
- Chlorpromazine phenolphthalinate
- SPECTRUM1500184
- Phenothiazine, 2-chloro-10-[3-(dimethylamino)propyl]-
- Phenothiazine, 2-chloro-10-(3-(dimethylamino)propyl)-
- 2-Cloro-10 (3-dimetilaminopropil)fenotiazina [Italian]
- Chloro-3 (dimethylamino-3 propyl)-10 phenothiazine
- 2-Chloro-10-[3-(dimethylamino)propyl]phenothiazine
- 2-Chloro-10-(3-(dimethylamino)propyl)phenothiazine
- Chlorpromanyl (discontinued)
- Chlorpromazine (USP/INN)
- Phenothiazine hydrochloride
- Lopac-C-8138
- 4560 Rp hydrochloride
- 2-Cloro-10 (3-dimetilaminopropil)fenotiazina
- 2-chloro-N,N-dimethyl-10H-Phenothiazine-10-propanamine
- Chlorpromazine [USAN:INN:BAN]
- Thorazine hydrochloride
- Largactil Oral Drops
- 3-(2-chlorophenothiazin-10-yl)-N,N-dimethyl-propan-1-amine
- Promapar
- Thorazine (TN)
- Thorazine Spansule
- Largactil Liquid
- N-(3-Dimethylaminopropyl)-3-chlorophenothiazine
- Propaphen
- Phenathyl
- Prazilpromactil
- Chlordelazin
- 4560 R.P.
- Chlorpromazine Tannate
- 10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-
- Clorpromazina [INN-Spanish]
- Chlorpromazinum [INN-Latin]
- C17H19ClN2S
- Plegomazin
- Chlor-PZ
- BC 135
- Clorpromazina [Italian]
- Thorazine Suppositories
- HL 5746
- Amplicitil
- Aminasine
- Plegomasine
- Cromedazine
- Chlordelazine
- SKF 2601-A
- 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine
- Amplictil
- Chlorpromazinum
- Fraction AB
- Novomazina
- Clorpromazina
- Chlorpromazin
- Largactilothiazine
- Chlor-Promanyl
- Proma
- Prozil
- Esmind
- Elmarin
- Wintermin
- Torazina
- Sanopron
- Psychozine
- Promazil
- Promactil
- Phenactyl
- Largactyl
- Fenaktyl
- Ampliactil
- Aminazin
- 2-Chloropromazine
- 50-53-3
- Propaphenin
- Megaphen
- Fenactil
- Chlorpromados
- Aminazine
- Chloropromazine
- Chlorderazin
- Contomin
- Largactil
- Thorazine
- chlorpromazine
- Novo-Chlorpromazine
Chlorpromazine Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of chlorpromazine? |
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C17H19ClN2S |
How many atoms and what are the elements included the chlorpromazine molecule? |
40 atom(s) - 19 Hydrogen atom(s), 17 Carbon atom(s), 2 Nitrogen atom(s), 1 Sulfur atom(s), and 1 Chlorine atom(s) |
How many chemical bonds and what kind of bonds are included the chlorpromazine structure? |
42 bond(s) - 23 non-H bond(s), 12 multiple bond(s), 4 rotatable bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 2 ten-membered ring(s), 1 tertiary amine(s) (aliphatic), 1 tertiary amine(s) (aromatic), and 1 sulfide(s) |
What’s the chlorpromazine’s molecular weight? |
318.86386 g/mol |
What’s the SMILES code of chlorpromazine? |
CN(C)CCCN2c1ccccc1Sc3ccc(Cl)cc23 |
What’s the InChI string of chlorpromazine? |
InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 |
What’s the InChIKey code of chlorpromazine? |
ZPEIMTDSQAKGNT-UHFFFAOYSA-N |
2042
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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).