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Prochlorperazine
CAS: 58-38-8 | C20H24ClN3S
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
58-38-8
Molecular Formula:
C20H24ClN3S
Molecular Mass:
373.95 g/mol
Names and Synonyms:
Prochlorperazine
10H-Phenothiazine, 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-
Phenothiazine, 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-
2-Chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazine
SKF 4657
6140RP
3-Chloro-10-[3-(1-methyl-4-piperazinyl)propyl]phenothiazine
2-Chloro-10-(3-[1-methyl-4-piperazinyl]propyl)phenothiazine
2-Chloro-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine
Chlorperazine
Meterazine
N-[γ-(4′-Methylpiperazinyl-1′)propyl]-3-chlorophenothiazine
Nipodal
Prochlorperazine
Prochlorpromazine
Prochlorperazin
Temetid
Chlormeprazine
Kronocin
Bayer A 173
Capazine
Emelent
Meterazin
Prochlorpemazine
RP 6140
Proazine
NSC 17478
NSC 665801
DDD 66604
Identifiers:
SMILES:
CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
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
Key Properties
Boiling Point
260-275 °C @ Press: 2 Torr
CAS Common Chemistry
Melting Point
228 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 373.95 g/mol | CAS Common Chemistry |
| 373.95300000000015 g/mol | RDKit | |
| 373.137946448 g/mol | RDKit | |
| Boiling Point | 260-275 °C @ Press: 2 Torr | CAS Common Chemistry |
| 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 |
| LogP | 4.580200000000004 | RDKit |
| Molar Refractivity | 107.57700000000006 | RDKit |
