1-(2-methylphenyl)-4-(2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)piperazine

• ChemBase编号: 183
• 分子式: C19H27N5
• 平均质量: 325.45118
• 单一同位素质量: 325.22664589
• SMILES: N1(CCN(CC1)c1c(cccc1)C)CCc1n2CCCCc2nn1
• Canonical SMILES: Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2
• InChI: InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3
• InChIKey: RFWZESUMWJKKRN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(2-methylphenyl)-4-(2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)piperazine
• IUPAC传统名: dapiprazole
• 商标名: Rev-Eyes
• 别名: Dapiprazole

登记号

• CAS号: 72822-12-9
• PubChem SID: 46508859; 160963646
• PubChem CID: 3033538

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.26387095
• LogD (pH = 7.4): 1.9607973
• Log P: 2.4158738
• 摩尔折射率: 100.2216 cm^3
• 极化性: 37.01138 Å^3
• 极化表面积: 37.19 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 2.78
• LOG S: -2.64
• 溶解度: 7.51e-01 g/l

分子性质

理化性质

• 溶解度: Soluble
• 疏水性(logP): 2.3

详细说明

DrugBank - DB00298

• Drug Groups: approved
• Description: Dapiprazole (U.S. trade name Rev-Eyes) is an alpha blocker. It is used to reverse mydriasis after eye examination. [Wikipedia]
• Indication: Used in the treatment of iatrogenically induced mydriasis produced by adrenergic (phenylephrine) or parasympatholytic (tropicamide) agents used in certain eye examinations.
• Pharmacology: Dapiprazole is an alpha-adrenergic blocking agent. It produces miosis by blocking the alpha-adrenergic receptors on the dilator muscle of the iris. Dapiprazole produces no significant action on ciliary muscle contraction and thus, there are no changes in the depth of the anterior chamber of the thickness of the lens. It does not alter the IOP either in normal eyes or in eyes with elevated IOP. The rate of pupillary constriction may be slightly slower in clients with brown irises than in clients with blue or green irises.
• Toxicity: Oral LD₅₀ is 1189-2100 mg/kg in mice, rats and rabbits.
• Affected Organisms: Humans and other mammals
• Absorption: Systemic absorption is negligible.
• External Links: Wikipedia; Drugs.com