7-chloro-1-(cyclopropylmethyl)-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one

• ChemBase编号: 1366
• 分子式: C19H17ClN2O
• 平均质量: 324.80408
• 单一同位素质量: 324.10294085
• SMILES: Clc1cc2c(N(CC3CC3)C(=O)CN=C2c2ccccc2)cc1
• Canonical SMILES: Clc1ccc2c(c1)C(=NCC(=O)N2CC1CC1)c1ccccc1
• InChI: InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2
• InChIKey: MWQCHHACWWAQLJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-chloro-1-(cyclopropylmethyl)-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
• IUPAC传统名: prazepam
• 商标名: Centrax; Demetrin; Lysanxia; Prazeene; Prazene; Sedapran; Settima; Trepidan; Verstran
• 别名: Prazepamum [inn-latin]; Prazepam; 9-chloro-2-(cyclopropylmethyl)-6-phenyl-2,5-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraen- 3-one; Prazepam

登记号

• CAS号: 2955-38-6
• EC号: 220-975-8
• MDL号: MFCD00057905
• PubChem SID: 46505417; 24898436; 160964826
• PubChem CID: 4890
• ATC码: N05BA11
• CHEMBL: 969
• Chemspider ID: 4721
• DrugBank ID: DB01588
• KEGG ID: D00470
• 美国药典/FDA物质标识码: Q30VCC064M
• 维基百科标题: Prazepam
• Medline Plus: a601036

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.8550754
• LogD (pH = 7.4): 3.856644
• Log P: 3.856664
• 摩尔折射率: 91.7539 cm^3
• 极化性: 35.11395 Å^3
• 极化表面积: 32.67 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 3.68
• LOG S: -4.91
• 溶解度: 3.99e-03 g/l

分子性质

理化性质

• 疏水性(logP): 3.73 [HANSCH,C ET AL. (1995)]

安全信息

• RTECS编号: DF2368000
• 德国WGK号: 2
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 毒品管制信息: USDEA Schedule IV; Home Office Schedule 4.1; psychotrope; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada

药理学性质

• 给药途径: Oral
• 排泄: Renal
• 半衰期: 36-200 hours
• 代谢: Hepatic
• 法定药品分级: Schedule IV (US)

产品相关信息

• Empirical Formula (Hill Notation): C19H17ClN2O

详细说明

DrugBank - DB01588

• Drug Groups: illicit; approved
• Description: Prazepam is a benzodiazepine that is used in the treatment of anxiety disorders. It is a schedule IV drug in the U.S.
• Indication: For the treatment of anxiety disorders.
• Pharmacology: Prazepam is a benzodiazepine derivative drug. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. Benzodiazepines may be habit-forming (causing mental or physical dependence), especially when taken for a long time or in high doses.
• Toxicity: Symptoms of overdose include somnolence, confusion, coma, and diminished reflexes. Respiration, pulse and blood pressure should be monitored.
• Affected Organisms: Humans and other mammals
• Biotransformation: Hepatic.
• Half Life: 36-200 hours
• External Links: Wikipedia

Sigma Aldrich - P3654

Biochem/physiol Actions
Anxiolytic