(1R,2S)-2-phenylcyclopropan-1-amine

• ChemBase编号: 2391
• 分子式: C9H11N
• 平均质量: 133.19034
• 单一同位素质量: 133.08914936
• SMILES: N[C@@H]1C[C@H]1c1ccccc1
• Canonical SMILES: N[C@@H]1C[C@H]1c1ccccc1
• InChI: InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
• InChIKey: AELCINSCMGFISI-DTWKUNHWSA-N

名称和登记号

名称

• IUPAC标准名: (1R,2S)-2-phenylcyclopropan-1-amine
• IUPAC传统名: tranylcypromine
• 商标名: Parnate
• 别名: Trans-2-Phenylcyclopropylamine; Transamine; Tranylcypromine

登记号

• CAS号: 155-09-9
• PubChem SID: 46506494; 160965842
• PubChem CID: 19493; 11861988
• ATC码: N06AF04
• CHEMBL: 1179
• Chemspider ID: 18369
• DrugBank ID: DB00752
• 美国药典/FDA物质标识码: 3E3V44J4Z9
• 维基百科标题: Tranylcypromine
• Medline Plus: a682088

理论计算性质

JChem

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.6602782
• LogD (pH = 7.4): -0.82371813
• Log P: 1.3388824
• 摩尔折射率: 41.6966 cm^3
• 极化性: 16.617031 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: -1.64
• LOG S: -4.21
• 溶解度: 1.04e-02 g/l

分子性质

药理学性质

• 给药途径: Oral
• 生物利用度: 50%
• 排泄: Urine, Feces
• 半衰期: 2.5 hours
• 代谢: Liver (by enzymes CYP2A6, CYP2C19, CYP2D6, MAO_A, and MAO_B)
• 法定药品分级: Rx-only
• 妊娠期药物分类: C

详细说明

DrugBank - DB02665

• Drug Groups: experimental
• Description: A propylamine formed from the cyclization of the side chain of amphetamine. This monoamine oxidase inhibitor is effective in the treatment of major depression, dysthymic disorder, and atypical depression. It also is useful in panic and phobic disorders. (From AMA Drug Evaluations Annual, 1994, p311)