1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethan-1-one

• ChemBase编号: 1391
• 分子式: C19H22N2OS
• 平均质量: 326.45578
• 单一同位素质量: 326.14528433
• SMILES: S1c2c(N(CCCN(C)C)c3c1cccc3)cc(cc2)C(=O)C
• Canonical SMILES: CN(CCCN1c2ccccc2Sc2c1cc(cc2)C(=O)C)C
• InChI: InChI=1S/C19H22N2OS/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/h4-5,7-10,13H,6,11-12H2,1-3H3
• InChIKey: NOSIYYJFMPDDSA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethan-1-one
• IUPAC传统名: Ace; acepromazine
• 商标名: Acezine 2; Atravet
• 别名: ACP; Acetylpromazine; 10-(3-dimethylaminopropyl)phenothiazin-3-yl methyl ketone; 10-(3-dimethylaminopropyl)phenothiazine-3-ethylone; Acepromazine

登记号

• CAS号: 61-00-7
• PubChem SID: 46508205; 160964851
• PubChem CID: 6077
• CHEBI ID: 44932
• ATC码: N05AA04
• CHEMBL: 39560
• Chemspider ID: 5852
• DrugBank ID: DB01614
• KEGG ID: D07065
• 美国药典/FDA物质标识码: 54EJ303F0R
• 维基百科标题: Acepromazine

理论计算性质

JChem

• Acid pKa: 16.055948
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.6094632
• LogD (pH = 7.4): 2.3599155
• Log P: 3.488603
• 摩尔折射率: 99.3543 cm^3
• 极化性: 37.856915 Å^3
• 极化表面积: 23.55 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 4.32
• LOG S: -4.52
• 溶解度: 9.80e-03 g/l

分子性质

药理学性质

• 给药途径: IV, IM, oral
• 生物利用度: 6.6L/kg, high volume of distribution
• 排泄: found in equine urine up to 96 hours after dosage
• 半衰期: 3 hours in horses
• 法定药品分级: not approved for use in cattle

详细说明

DrugBank - DB01614

• Drug Groups: approved
• Description: Acepromazine is one of the phenothiazine derivative psychotropic drugs, used little in humans, however frequently in animals as a sedative and antiemetic.
• Indication: Acepromazine was first used in humans in the 1950s as an antipsychotic agent. It is now rarely used in humans. Acepromazine is frequently used in animals as a sedative and antiemetic. Its principal value is in quietening and calming anxious animals.
• Pharmacology: Acepromazine is one of the phenothiazine derivative psychotropic drugs. Acepromazine has actions at all levels of the central nervous system-primarily at subcortical levels-as well as on multiple organ systems. Acepromazine has strong antiadrenergic and weaker peripheral anticholinergic activity; ganglionic blocking action is relatively slight. It also possesses slight antihistaminic and antiserotonin activity.
• Toxicity: Agitation, coma, convulsions, difficulty breathing, difficulty swallowing, dry mouth, extreme sleepiness, fever, intestinal blockage, irregular heart rate, low blood pressure, restlessness
• Affected Organisms: Humans and other mammals
• Half Life: 3 hours in horses.
• External Links: Wikipedia