2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate

• ChemBase编号: 130380
• 分子式: C19H17ClN2O4
• 平均质量: 372.80228
• 单一同位素质量: 372.08768471
• SMILES: O=C(OCC(O)CO)c1ccccc1Nc1c2ccc(Cl)cc2ncc1
• Canonical SMILES: OCC(COC(=O)c1ccccc1Nc1ccnc2c1ccc(c2)Cl)O
• InChI: InChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22)
• InChIKey: GWOFUCIGLDBNKM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate
• IUPAC传统名: glafenine
• 别名: 格拉非宁; 1-Glyceryl N-(7-chloro-4-quinolyl)anthranilate; Glafenine; 2-[(7-Chloro-4-quinolinyl)amino]benzoic Acid 2,3-Dihydroxypropyl Ester; 1-[N-(7-Chloro-4-quinolyl)anthranilate]glycerol; N-(7-Chloro-4-quinolyl)anthranilic Acid 2,3-Dihydroxypropyl Ester; 2,3-Dihydroxypropyl N-(7-chloro-4-quinolyl)anthranilate; 2-[(7-Chloro-4-quinolyl)amino]benzoic Acid α-Glyceride; 4-[(2-Carboxyphenyl)amino]-7-chloroquinoline α-monoglyceride; 4-[2-(β,γ-Dihydroxypropoxycarbonyl)phenylamino]-7-chloroquinoline; Alcidon; Dolomate; Glafenin; Glaphenin; Glaphenine; Glicafan; Glifan; Glifanan; Glifanar; Glycerylaminophenaquine; Privadol; R 1707; Glafenine

登记号

• CAS号: 3820-67-5
• EC号: 223-315-7
• MDL号: MFCD00079326
• PubChem SID: 162224659; 24895279
• PubChem CID: 3474
• CHEBI ID: 31653
• ATC码: N02BG03
• Chemspider ID: 3355
• 维基百科标题: Glafenine

理论计算性质

• Acid pKa: 13.618292
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): 3.3327456
• LogD (pH = 7.4): 4.1174026
• Log P: 4.157911
• 摩尔折射率: 97.5504 cm^3
• 极化性: 38.88253 Å^3
• 极化表面积: 91.68 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

安全信息

• RTECS编号: CB2687000
• 德国WGK号: 3
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 级别: analytical standard

详细说明

Sigma Aldrich - G6895

Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. G6895.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Toronto Research Chemicals - G406500

Glafenine is a non-narcotic analgesic agent. Glafenine shows significant antiinflammatory activity. Glafenine is widely used for the treatment of pains of various origins.

参考文献

• Wen, B. et al.: Drug Metab. Dispos., 1511 (2011)
• Deraedt, R. et al.: Arch. Int. Pharmacodyn. Ther., 224, 30 (2011)
• Rettenmaier, G. et al.: Fortsch. Med., 89, 491 (2011)