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| CAS No.: | 25333-83-9 |
|---|---|
| Name: | 1-[10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl]propan-1-one maleate |
| Molecular Structure: | |
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| Formula: | C20H24N2OS•C4H4O4 |
| Molecular Weight: | 456.60 |
| Synonyms: | 1678 CB;Propiopromazine maleate;PROPIOPROMAZINE; |
| Boiling Point: | 507.4°C at 760 mmHg |
| Flash Point: | 260.7°C |
| Safety: | Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx and SOx. |
| PSA: | 123.45000 |
| LogP: | 4.61050 |
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Chemistry
Molecule structure of Propiopromazine maleate (CAS NO.25333-83-9):
IUPAC Name: (Z)-But-2-enedioic acid; 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one
Molecular Weight: 456.55452 g/mol
Molecular Formula: C24H28N2O5S
Boiling Point: 507.4 °C at 760 mmHg
Flash Point: 260.7 °C
Enthalpy of Vaporization: 77.75 kJ/mol
Vapour Pressure: 2.04E-10 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 7
Rotatable Bond Count: 8
Tautomer Count: 2
Exact Mass: 456.171893
MonoIsotopic Mass: 456.171893
Topological Polar Surface Area: 98.2
Heavy Atom Count: 32
Complexity: 547
Canonical SMILES: CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C.C(=CC(=O)O)C(=O)O
Isomeric SMILES: CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C.C(=C\C(=O)O)\C(=O)O
InChI: InChI=1S/C20H24N2OS.C4H4O4/c1-4-18(23)15-10-11-20-17(14-15)22(13-7-12-21(2)3)16-8-5-6-9-19(16)24-20;5-3(6)1-2-4(7)8/h5-6,8-11,14H,4,7,12-13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey: BBYDPETWONYPJS-BTJKTKAUSA-N
EINECS of Propiopromazine maleate (CAS NO.25333-83-9): 246-861-8
Toxicity Data With Reference
| 1. | orl-mus LD50:650 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,44. | ||
| 2. | ipr-mus LD50:170 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,44. | ||
| 3. | orl-bwd LD50:316 mg/kg | AECTCV Archives of Environmental Contamination and Toxicology. 12 (1983),355. |
Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Specification
Propiopromazine maleate (CAS NO.25333-83-9) is also named as 1-(10-(3-(Dimethylamino)propyl)-10H-phenothiazin-2-yl)-1-propanone (Z)-2-butenedioate (1:1) ; 1-(10-(3-(Dimethylamino)propyl)phenothiazin-2-yl)-1-propanone maleate ; 1-Propanone, 1-(10-(3-dimethylaminopropyl)phenothiazin-2-yl)-, maleate (6CI) ; 1678 CB ; NSC 169500 ; Propiolpromazine ; Propionylpromazine maleate ; 1-(10-(3-(Dimethylamino)propyl)-10H-phenothiazin-2-yl)propan-1-onemaleate ; 1-Propanone, 1-(10-(3-(dimethylamino)propyl)-10H-phenothiazin-2-yl)-, maleate ; 1-Propanone, 1-(10-(3-(dimethylamino)propyl)-2-phenothiazinyl)-, maleate (1:1) (7CI,8CI) .