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Molecule
Prochlorperazine
CAS: 58-38-8 · C20H24ClN3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 58-38-8
- Molecular Formula
- C20H24ClN3S
- Molecular Mass
- 373.95 g/mol
Identifiers
CAS Registry Number
58-38-8
SMILES
CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
InChI Key
WIKYUJGCLQQFNW-UHFFFAOYSA-N
InChI
InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3
Names and Synonyms
- Prochlorperazine Common Name
- 10H-Phenothiazine, 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]- Synonym
- Phenothiazine, 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]- Synonym
- 2-Chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazine Synonym
- SKF 4657 Synonym
- 6140RP Synonym
- 3-Chloro-10-[3-(1-methyl-4-piperazinyl)propyl]phenothiazine Synonym
- 2-Chloro-10-(3-[1-methyl-4-piperazinyl]propyl)phenothiazine Synonym
- 2-Chloro-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine Synonym
- Chlorperazine Synonym
- Meterazine Synonym
- N-[γ-(4′-Methylpiperazinyl-1′)propyl]-3-chlorophenothiazine Synonym
- Nipodal Synonym
- Prochlorperazine Synonym
- Prochlorpromazine Synonym
- Prochlorperazin Synonym
- Temetid Synonym
- Chlormeprazine Synonym
- Kronocin Synonym
- Bayer A 173 Synonym
- Capazine Synonym
- Emelent Synonym
- Meterazin Synonym
- Prochlorpemazine Synonym
- RP 6140 Synonym
- Proazine Synonym
- NSC 17478 Synonym
- NSC 665801 Synonym
- DDD 66604 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 373.95 g/mol | CAS Common Chemistry |
| 373.95300000000015 g/mol | RDKit | |
| 373.953 g/mol | RDKit | |
| 375.836 g/mol | chempirical lib | |
| Canonical SMILES | ClC1=CC=C2SC=3C=CC=CC3N(C2=C1)CCCN4CCN(C)CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WIKYUJGCLQQFNW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 228 °C | CAS Common Chemistry |
| Name | Prochlorperazine | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 9.72 Ų | RDKit |
| 9.03 Ų | chempirical lib | |
| LogP | 4.580200000000004 | RDKit |
| 4.5802 | RDKit | |
| 4.51 | chempirical lib | |
| Molar Refractivity | 107.57700000000006 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 373.137946448 g/mol | RDKit |
| Boiling Point | 260-275 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 373.95 g/mol. Edit any field — others recompute live.
