17-methyl-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-trien-4-ol; 2,3-dihydroxybutanedioic acid

• ChemBase编号: 103970
• 分子式: C21H29NO7
• 平均质量: 407.45746
• 单一同位素质量: 407.19440227
• SMILES: CN1CCC23CCCCC2C1Cc1c3cc(O)cc1.OC(C(O)C(=O)O)C(=O)O
• Canonical SMILES: OC(=O)C(C(C(=O)O)O)O.Oc1ccc2c(c1)C13CCCCC3C(C2)N(CC1)C
• InChI: InChI=1S/C17H23NO.C4H6O6/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17;5-1(3(7)8)2(6)4(9)10/h5-6,11,14,16,19H,2-4,7-10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
• InChIKey: RWTWIZDKEIWLKQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 17-methyl-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-trien-4-ol; 2,3-dihydroxybutanedioic acid; 17-methyl-17-azatetracyclo[7.5.3.0^1,^1^0.0^2,^7]heptadeca-2(7),3,5-trien-4-ol; 2,3-dihydroxybutanedioic acid
• IUPAC传统名: (.+-.)-tartaric acid; racemorphan; (.+-.)-tartaric acid; levorphanol tartrate anhydrous
• 别名: (+)-3-Hydroxy-N-methylmorphinan-D-tartrate; DEXTRORPHAN-D-TARTRATE; (9α,13α,14α)-17-Methyl-morphinan-3-ol (2R,3R)-2,3-Dihydroxybutanedioate; NIH 4591; d-3-Hydroxy-N-methylmorphinan Tartrate; Dextrorphan, Tartrate Salt

登记号

• CAS号: 125-73-5; 143-98-6
• EC号: 204-754-3
• PubChem SID: 162092753
• PubChem CID: 260127

理论计算性质

• Acid pKa: 10.461597
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.095644645
• LogD (pH = 7.4): 0.9349801
• Log P: 2.9030437
• 摩尔折射率: 78.0809 cm^3
• 极化性: 30.3868 Å^3
• 极化表面积: 23.47 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol; Water
• 外观: White Solid
• 熔点: 178-180°C

安全信息

• 保存条件: -20°C Freezer; Room Temperature (15-30°C)
• RTECS编号: QD1832000
• 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

详细说明

MP Biomedicals - 02153741

Noncompetitive NMDA antagonist

Toronto Research Chemicals - D299485

Orally active synthetic morphine analog. Analgesic (narcotic). The labelled d-form of Levorphanol.

参考文献

• Tallarida, R., et al.: Life Sci., 45, 947 (1989)
• Netzer, R., et al.: Eur. J. Pharmacol., 238, 209 (1989)
• Mao, J., et al.: Pain, 67, 361 (1989)
• Chow, L., et al.: J. Biomed. Sci., 11, 717 (1989)