(9S)-4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),3,5,13,15-hexaene

• ChemBase编号: 112389
• 分子式: C21H25NO4
• 平均质量: 355.4275
• 单一同位素质量: 355.17835829
• SMILES: CN1CCc2cc(c(c3c2[C@@H]1Cc1c3cc(c(c1)OC)OC)OC)OC
• Canonical SMILES: COc1cc2c(cc1OC)C[C@H]1c3c2c(OC)c(OC)cc3CCN1C
• InChI: InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1
• InChIKey: RUZIUYOSRDWYQF-HNNXBMFYSA-N

名称和登记号

名称

• IUPAC标准名: (9S)-4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),3,5,13,15-hexaene; (9S)-4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadeca-1(17),2(7),3,5,13,15-hexaene; (9S)-4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadeca-1(17),2,4,6,13,15-hexaene
• IUPAC传统名: glaucine; (9S)-4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadeca-1(17),2,4,6,13,15-hexaene
• 别名: GLAUCINE; 1,2,9,10-Tetramethoxyaporphine; Glaucine; (S)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

登记号

• CAS号: 475-81-0
• EC号: 207-501-5
• PubChem SID: 162097337
• PubChem CID: 16754

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 1.4678636
• LogD (pH = 7.4): 2.8952234
• Log P: 3.0707269
• 摩尔折射率: 101.8791 cm^3
• 极化性: 40.46764 Å^3
• 极化表面积: 40.16 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Powder
• 熔点: 118°C

安全信息

• RTECS编号: CE0925000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 危险公开号: R:22
• 安全公开号: S:36/37/39

药理学性质

• 生物活性机理: PDE4 inhibitor

产品相关信息

• 纯度: 98.5
• 生物来源: Alkaloid from a wide variety of genera in the Annonaceae ( Alphonsea, Annona, Polyalthia, Schefferomitra, Uvaria ), Berberidaceae ( Berberis, Mahonia ), Euphorbiaceae ( Croton ), Fumariaceae ( Corydalis, Dicentra ), Lauraceae ( Beilschmiedia, Ocotea, Litsea ), Magnoliaceae ( Liriodendron, Magnolia ), Menispermaceae ( Chasmanthera ), Papaveraceae ( Glaucium, Papaver ), Ranunculaceae ( Thalictrum, Aconitum ), Rhamnaceae ( Colubrina ) and Monimiaceae ( Hedycaria )
• 应用领域: Antifungal agent; Antitussive agent with similar potency to Codeine.; Shows antithrombotic, analgesic and antiinflammatory activity

详细说明

MP Biomedicals - 05223708

MP Biomedicals Rare Chemical collection

InterBioScreen - BB_NC-0833

GNC

参考文献

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