(1S,5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-ol N-(4-hydroxyphenyl)acetamide 2,3-dihydroxybutanedioate

• ChemBase编号: 126643
• 分子式: C30H36N2O11--
• 平均质量: 600.61364
• 单一同位素质量: 600.23190998
• SMILES: [O-]C(=O)C(O)C(O)C(=O)[O-].CC(=O)Nc1ccc(O)cc1.O[C@H]1CC[C@H]2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45
• Canonical SMILES: [O-]C(=O)C(C(C(=O)[O-])O)O.CC(=O)Nc1ccc(cc1)O.COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4CC[C@@H]1O)C
• InChI: InChI=1S/C18H23NO3.C8H9NO2.C4H6O6/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-6(10)9-7-2-4-8(11)5-3-7;5-1(3(7)8)2(6)4(9)10/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3;2-5,11H,1H3,(H,9,10);1-2,5-6H,(H,7,8)(H,9,10)/p-2/t11-,12+,13-,17-,18-;;/m0../s1
• InChIKey: CDVVJDIDHYZRHL-CCLYOLAMSA-L

名称和登记号

名称

• IUPAC标准名: (1S,5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^1,^1^3.0^5,^1^7.0^7,^1^8]octadeca-7,9,11(18)-trien-14-ol N-(4-hydroxyphenyl)acetamide 2,3-dihydroxybutanedioate
• IUPAC传统名: acetaminophen dihydrocodeine tartrate
• 别名: Co-dydramol

登记号

• PubChem SID: 162220973
• PubChem CID: 57455278
• Chemspider ID: 21106280
• 维基百科标题: Co-dydramol

理论计算性质

• Acid pKa: 14.151551
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.7857474
• LogD (pH = 7.4): -0.3756574
• Log P: 1.5489655
• 摩尔折射率: 83.6421 cm^3
• 极化性: 32.852997 Å^3
• 极化表面积: 41.93 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

药理学性质

• 给药途径: Oral
• 法定药品分级: POM (UK)