SDF/Mol File of Chlorpromazine (C17H19ClN2S)
Identification of Chlorpromazine Chemical Compound
Chemical Formula | C17H19ClN2S |
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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 |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of chlorpromazine 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 chlorpromazine 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 Chlorpromazine Molecule
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Chemical structure of chlorpromazine
By visualizing the structure data file (SDF/MOL File) above, 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 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 masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of chlorpromazine
The chemical formula of chlorpromazine is given 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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InChI (IUPAC International Chemical Identifier) information of chlorpromazine
An alternative way of expressing structural information in text format 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 be named differently depending on the various situations of industrial applications. Other names (synonyms) of chlorpromazine including the registry numbers are listed 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 chlorpromazine formula? |
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C17H19ClN2S |
How many atoms and what elements are included in 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 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 chlorpromazine’s molar mass? |
318.86386 g/mol |
What’s the SMILES structure of chlorpromazine? |
CN(C)CCCN2c1ccccc1Sc3ccc(Cl)cc23 |
What’s the InChI code 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 format of chlorpromazine? |
ZPEIMTDSQAKGNT-UHFFFAOYSA-N |
461
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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).