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| CAS No.: | 1257-78-9 |
|---|---|
| Name: | PROCHLORPERAZINE EDISYLATE |
| Molecular Structure: | |
 |
|
| Formula: | C20H24ClN3S•C2H4O6S2 |
| Molecular Weight: | 562.16 |
| Synonyms: | 1,2-Ethanedisulfonic acid,compd. with 2-chloro-10-[3-(4-methyl-1-piperazinyl)- propyl]-10H-phenothiazine (1:1);Prochlorperazine edisylate;2-CHLORO-10-(3-(4-METHYL-1-PIPERAZINYL)PROPYL)PHENOTHIAZINE 1,2-ETHANEDI-SULFONATE (1:1);PHENOTHIAZINE, 2-CHLORO-10-(3-(1-METHYL-4-PIPERAZINYL)PROPYL)-, ETHANEDISULFONATE;2-CHLORO-10-(3-(1-METHYL-4-PIPERAZINYL)PROPYL)-PHENOTHIAZINE EDISYLATE; |
| EINECS: | 215-019-1 |
| Density: | g/cm3 |
| Boiling Point: | 524.8°Cat760mmHg |
| Flash Point: | 271.2°C |
| Hazard Symbols: |
|
| Risk Codes: | 22 |
| Safety: | Poison by ingestion and subcutaneous routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx, SOx, and Cl−. |
| PSA: | 160.52000 |
| LogP: | 5.44460 |
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Chemistry
IUPAC Name: 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;ethane-1,2-disulfonic acid
Empirical Formula: C22H30ClN3O6S3
Molecular Weight: 564.1381g/mol
H-Bond Donor: 2
H-Bond Acceptor: 9
Rotatable Bond Count: 7
Exact Mass: 563.098525
MonoIsotopic Mass: 563.098525
Topological Polar Surface Area: 119
Heavy Atom Count: 35
Formal Charge: 0
Complexity: 668
Flash Point: 271.2 °C
Enthalpy of Vaporization: 79.88 kJ/mol
Boiling Point: 524.8 °C at 760 mmHg
Vapour Pressure: 4.15E-11 mmHg at 25°C
Canonical SMILES: CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(CS(=O)(=O)O)S(=O)(=O)O
InChI: InChI=1S/C20H24ClN3S.C2H6O6S2/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;3-9(4,5)1-2-10(6,7)8/h2-3,5-8,15H,4,9-14H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8)
InChIKey: SWOUGRBFXFILIB-UHFFFAOYSA-N
Structure of Prochlorperazine ethane disulfonate (CAS NO.1257-78-9):
Toxicity Data With Reference
| 1. | orl-mus LD50:400 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,40. | ||
| 2. | scu-mus LD50:320 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,40. |
Safety Profile
Hazard Codes: 
Xn
Risk Statements: 22
R22:Harmful if swallowed.
Safety Statements: 22
S22:Do not breathe dust.
RTECS: SO2975000
Poison by ingestion and subcutaneous routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx, SOx, and Cl−.
Specification
Prochlorperazine ethane disulfonate , its cas register number is 1257-78-9. It also can be called 10H-Phenothiazine, 2-chloro-10-(3-(4-methyl-1-piperazinyl)propyl)-, 1,2-ethanedisulfonate (1:1) ; 2-Chloro-10-(3-(1-methyl-4-piperazinyl)propyl)phenothiazine edisylate ; 2-Chloro-10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazine 1,2-ethanedisulfonate (1:1) ; Compazine ; Compazine Injection ; Compazine syrup ; EINECS 215-019-1 ; Prochlorperazine ; Prochlorperazine edisylate ; Stemetil ; UNII-PG20W5VQZS . When heated to decomposition it emits toxic fumes of NOx, SOx, and Cl−. And Prochlorperazine ethane disulfonate (CAS NO.1257-78-9) is harmful if swallowed, so do not breathe dust.