Formula 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 Formula Description
The chlorpromazine molecule contains a total of 40 atom(s). There are 19 Hydrogen atom(s), 17 Carbon atom(s), 2 Nitrogen atom(s), 1 Sulfur atom(s), and 1 Chlorine atom(s). A chemical formula of chlorpromazine can therefore be written as:
C17H19ClN2S
The chemical formula of chlorpromazine shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Chlorpromazine Molecule
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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 providing the information about the atoms, bonds, connectivity and coordinates of chlorpromazine, which is not completely available in the chemical formula representation. The chlorpromazine structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of chlorpromazine
The chemical structure image of chlorpromazine is available in chemical structure page of chlorpromazine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of chlorpromazine and the chemical bonds that hold the atoms together.
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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 specified in the chemical formula of chlorpromazine.
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InChI (IUPAC International Chemical Identifier) information of chlorpromazine
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of chlorpromazine is:
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
It can provide a standard way to encode the molecular information of chlorpromazine 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 chlorpromazine is:
InChIKey=ZPEIMTDSQAKGNT-UHFFFAOYSA-N
The InChIKey may allow easier web searches for chlorpromazine, but it needs to be linked to the full InChI to get back to the original structure of the chlorpromazine since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of chlorpromazine
The chlorpromazine compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of chlorpromazine including the registry numbers is given below, 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 they in the chlorpromazine structure? |
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 are they in 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 molecular weight of chlorpromazine? |
318.86386 g/mol |
What’s the SMILES string of chlorpromazine? |
CN(C)CCCN2c1ccccc1Sc3ccc(Cl)cc23 |
What’s the InChI 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 of chlorpromazine? |
ZPEIMTDSQAKGNT-UHFFFAOYSA-N |
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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).