(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol

• ChemBase编号: 175691
• 分子式: C16H17NO3
• 平均质量: 271.31108
• 单一同位素质量: 271.12084341
• SMILES: c1(c2c3c(cc1)C[C@@H]1[C@H]4[C@@]3([C@H]([C@H](C=C4)O)O2)CCN1)O
• Canonical SMILES: O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2NCC3)ccc1O
• InChI: InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10+,12-,15-,16-/m0/s1
• InChIKey: ONBWJWYUHXVEJS-ZTYRTETDSA-N

名称和登记号

名称

• IUPAC标准名: (1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.0^1,^1^3.0^5,^1^7.0^7,^1^8]octadeca-7(18),8,10,15-tetraene-10,14-diol
• IUPAC传统名: N-normorphine
• 别名: (5α,6α)-7,8-Didehydro-4,5-epoxy-morphinan-3,6-diol; (-)-Normorphine; 4,5-Epoxy-3,6-dihydromorphin-7-ene; Demethylmorphine; Desmethylmorphine; N-Demethylmorphine; N-Normorphine; NSC 270042; Normorphine

登记号

• CAS号: 466-97-7
• PubChem SID: 164231601
• PubChem CID: 5462508

理论计算性质

• Acid pKa: 10.472726
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -2.4067447
• LogD (pH = 7.4): -1.7316455
• Log P: 0.26351154
• 摩尔折射率: 74.8277 cm^3
• 极化性: 28.86012 Å^3
• 极化表面积: 61.72 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Ether; Methanol
• 外观: Off-White Solid
• 熔点: >210°C(dec.)

安全信息

• 保存条件: Controlled Substance, -20°C Freezer

详细说明

Toronto Research Chemicals - N740300

Normorphine is a metabolite of Morphine (M652290). This is a controlled substance (opium derivative). Analgesic (narcotic).

参考文献

• Coffman, B., et al.: Drug Metab. Dispos., 25, 1 (1997)
• Hanks, G., et al.: Br. J. Cancer, 84, 587 (1997)
• Projean, D., et al.: Xenobiotica, 33, 841 (1997)
• Dale, O., et al.: Br. J. Clin. Pharmacol., 58, 156 (1997)