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| CAS No.: | 3598-37-6 |
|---|---|
| Name: | Acepromazine maleate |
| Molecular Structure: | |
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|
|
| Formula: | C19H22N2OS•C4H4O4 |
| Molecular Weight: | 442.53 |
| Synonyms: | 10-(3-(Dimethylamino)propyl)phenothiazin-2-yl methyl ketone maleate (1:1);A 23051;Phenothiazine, 2-acetyl-10-(3-(dimethylamino)propyl)-, maleate;Plegicil;Soprontin; |
| EINECS: | 222-748-9 |
| Density: | 1.155g/cm3 |
| Melting Point: | 135-136 °C |
| Boiling Point: | 497oC at 760 mmHg |
| Flash Point: | 254.4oC |
| Appearance: | Yellow crystalline solid |
| Hazard Symbols: |
 Xn, N
|
| Risk Codes: | 22-50/53 |
| Safety: | 60-61 |
| PSA: | 123.45000 |
| LogP: | 4.22040 |
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Specification
Acepromazine maleate(CAS NO.3598-37-6) is also called Atavet; Calmivet; 1-[[10-(Dimethylamino)propyl]-10H-phenothiazin-2-yl]ethanone; 1-(10-(3-(Dimethylamino)propyl)-10H-phenothiazin-2-yl)-ethanon(z)-2-bute; 1-[10-[3-Dimethylamino)propyl]-10H-phenothiazin-2-yl]-ethanon(z)-2-butened; 10-(3-(Dimethylamino)propyl)phenothiazin-2-ylmethylketonemaleate(1:1); 2-Acetyl-10-(3-(dimethylamino)propyl)phenothiazine, maleate. Acepromazine maleate is high toxic. It is flammable. It will produce toxic nitrogen oxides and sodium oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. It is used as an antipsychotic in humans, but frequently in animals as a sedative and antiemetic.
Physical properties about Acepromazine maleate are: (1)ACD/LogP: 4.08; (2)ACD/LogD (pH 5.5): 1.05; (3)ACD/LogD (pH 7.4): 2.13; (4)ACD/BCF (pH 5.5): 1.00 ; (5)ACD/BCF (pH 7.4): 8.34; (6)ACD/KOC (pH 5.5): 3.66; (7)ACD/KOC (pH 7.4): 44.33; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Flash Point: 254.4 °C; (11)Enthalpy of Vaporization: 76.49 kJ/mol; (12)Boiling Point: 497 °C at 760 mmHg; (13)Vapour Pressure: 5.13E-10 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)InChI=1S/C19H22N2OS.C4H4O4/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19;5-3(6)1-2-4(7)8/h4-5,7-10,13H,6,11-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+;
(2)InChIKey=FQRHOOHLUYHMGG-WLHGVMLRSA-N;
(3)SmilesCC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C.C(=C/C(=O)O)\C(=O)O
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| child | TDLo | oral | 6250ug/kg (6.25mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP | American Journal of Emergency Medicine. Vol. 11, Pg. 247, 1993. |
| mouse | LD50 | intravenous | 65mg/kg (65mg/kg) | Acta Pharmacologica et Toxicologica. Vol. 19, Pg. 87, 1962. | |
| mouse | LD50 | subcutaneous | 175mg/kg (175mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 113, Pg. 53, 1957. | |
| mouse | LDLo | oral | 270mg/kg (270mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 113, Pg. 53, 1957. | |
| rat | LD50 | intravenous | 95mg/kg (95mg/kg) | "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 6, 1989. | |
| rat | LD50 | oral | 400mg/kg (400mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 123, Pg. 78, 1959. | |
| women | LDLo | oral | 496mg/kg (496mg/kg) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Journal of Analytical Toxicology. Vol. 22, Pg. 166, 1998. |