5,7-diiodoquinolin-8-ol

• ChemBase编号: 103201
• 分子式: C9H5I2NO
• 平均质量: 396.95104
• 单一同位素质量: 396.84605979
• SMILES: Oc1c(I)cc(I)c2cccnc12
• Canonical SMILES: Ic1cc(I)c2c(c1O)nccc2
• InChI: InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
• InChIKey: UXZFQZANDVDGMM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5,7-diiodoquinolin-8-ol
• IUPAC传统名: iodoquinol
• 别名: 双碘喹啉; 5,7-二碘-8-羟基喹啉; Diiodohydroxyquinoline; 5,7-Diiodo-8-hydroxyquinoline; 5,7-Diiodo-8-quinolinol; 5,7-DIIODO-8-HYDROXYQUINOLINE; 5,7-Diiodoquinolin-8-ol; 5,7-Diiodo-8-hydroxyquinoline; 5,7-Diiodooxine; 8-Hydroxy-5,7-diiodoquinoline; Di-Quinol; Diamoebin; Diiodohydroxyquin; Diiodohydroxyquinoline; Diiodoquin; Diiodoquinol; Dinoleine; Diodohydroxyquin; Diodoquin; Diodoxylin; Direxiode; Disoquin; Dyodin; Embequin; Enterodiamoebin; Enterosept; Floraquin; Lanodoxin; Moebiquin; NSC 74939; NSC 8704; Quinadome; Rafamebin; SS 578; Searlequin; Searlewuin; Sebaquin; Stanquinate; Yodoxin; Zoaquin; Iodoquinol

登记号

• CAS号: 83-73-8
• EC号: 201-497-9
• MDL号: MFCD00006789
• PubChem SID: 24893382; 162090564
• PubChem CID: 3728
• ATC码: G01AC01
• CHEMBL: 86754
• Chemspider ID: 3597
• KEGG ID: D00581
• 医学主题词(MeSH): Iodoquinol
• 维基百科标题: Diiodohydroxyquinoline

理论计算性质

• Acid pKa: 7.386588
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.6746104
• LogD (pH = 7.4): 3.378928
• Log P: 3.685224
• 摩尔折射率: 68.6852 cm^3
• 极化性: 27.999247 Å^3
• 极化表面积: 33.12 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

• 熔点: >200 °C (dec.)(lit.)

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: VC5775000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-41
• 安全公开号: 26-36/37/39
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H302-H318
• GHS警示性声明: P280-P305 + P351 + P338

产品相关信息

• 纯度: ~98%; 95+%; 97%
• Empirical Formula (Hill Notation): C9H5I2NO

详细说明

MP Biomedicals - 05212019

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02150912

Purity: ~98%

Sigma Aldrich - D123609

包装
100 g in glass bottle
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. D123609.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Toronto Research Chemicals - I728400

Antiamebic.

参考文献

• Lawrence, S., et al.: J. Biol. Chem., 284, 35807 (2009)
• Gohil, V., et al.: Nat. Biotechnol., 28, 249 (2009)