CAS 489-84-9|1,4-Dimethyl-7-isopropylazulene|guaiazulene|Guaiazulene|1,4-Dimethyl-7-(prop-2-yl)azulene|1,4-dimethyl-7-(propan-2-yl)azulene|7-isopropyl-1,4-dimethylazulene|愈创奥|Guaiazulene|1,4-Dime...

基本信息

化学结构

分子式

C₁₅H₁₈

分子量

198.30342

精确质量

198.14085058

电荷

InChI

InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3

InChIKey

FWKQNCXZGNBPFD-UHFFFAOYSA-N

Canonic Smiles

CC(c1ccc(c2c(c1)c(C)cc2)C)C

Isomeric Smiles

Cc1c2c(c(ccc(c2)C(C)C)C)cc1

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

5.2345743

LogD (pH = 7.4)

5.2345743

Log P

5.2345743

摩尔折射率

66.7814

极化性

27.009663

极化表面积

0.0

可自由旋转的化学键

里宾斯基五规则

false

数据来源

名称和标识

别名

1,4-Dimethyl-7-isopropylazuleneGuaiazulene1,4-Dimethyl-7-(prop-2-yl)azulene7-isopropyl-1,4-dimethylazulene愈创奥Guaiazulene1,4-Dimethyl-7-isopropylazulene1,4-二甲基-7-异丙基薁KessazuleneAzunolAzulonS - GuaiazuleneEucazuleneGUAIAZULENE

IUPAC传统名

guaiazulene 1,4-dimethyl-7-(propan-2-yl)azulene

IUPAC标准名

1,4-dimethyl-7-(propan-2-yl)azulene

名称和标识

数据登录号

CAS号

MDL号

PubChem CID

美国药典/FDA物质标识码

Chemspider ID

维基百科标题

CHEBI ID

KEGG ID

EC号

默克索引号

Beilstein号

PubChem SID

数据登录号

化合物性质

药理学性质

生物活性机理

Inhibits lipid peroxidation

Antioxidant

化合物性质

分子相关蛋白质

暂无数据

点击上传数据

分子图谱

暂无数据

点击上传数据

描述信息

MP Biomedicals

02157281

(1,4-Dimethyl-7-isopropylazulene)

05203548

MP Biomedicals Rare Chemical collection

Wikipedia

Guaiazulene

Sigma Aldrich

G11004

包装
10, 25 g in glass bottle

描述信息

参考文献

PubChem文献

数据源提供

• Fusetani, N. et al., Experientia, 1981, 37, 680, (isol)

• Jacob, T.M. et al., Tetrahedron, 1964, 20, 2821, (uv, synth)

• Aldrich Library of FT-IR Spectra: Vapor Phase, 1989, 3, 877B, (ir)

• Mukherjee, D. et al., J.A.C.S., 1979, 101, 251, (synth)

• Hoffmann, W. et al., Tet. Lett., 1975, 533, (synth)

• Sorm, F. et al., Coll. Czech. Chem. Comm., 1951, 16, 168; 626, (isol, synth)

• Herz, A., Arzneim.-Forsch., 1953, 3, 253, (pharmacol)

• Plattner, P.A. et al., Helv. Chim. Acta, 1949, 32, 2137; 2452, (synth)

• Caujolle, F. et al., Ann. Pharm. Fr., 1952, 10, 412, (pharmacol)

• Llinas, J.R. et al., Can. J. Chem., 1975, 53, 2911, (pmr, cmr)

• Aldrich Library of 13C and 1H FT NMR Spectra, 1992, 2, 40B, (nmr)

• Aldrich Library of FT-IR Spectra, 1st edn., 1985, 1, 955D, (ir)

• Li, M.K.W. et al., Tet. Lett., 1984, 25, 587, (derivs)

• Martindale, The Extra Pharmacopoeia, 31st edn., Pharmaceutical Press, 1996, 1688

• Kourounakis, A.P. et al., Arch. Pharm. (Weinheim, Ger.), 1997, 330, 7, (pharmacol)

• Vidal-Ollivier, E. et al., J. Chromatogr., 1989, 463, 227, (hplc)

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, DSJ800

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

别名

IUPAC传统名

guaiazulene 1,4-dimethyl-7-(propan-2-yl)azulene

IUPAC标准名

1,4-dimethyl-7-(propan-2-yl)azulene

数据登录号

CAS号

MDL号

PubChem CID

美国药典/FDA物质标识码

Chemspider ID

维基百科标题

CHEBI ID

KEGG ID

EC号

默克索引号

Beilstein号

PubChem SID

描述信息

(1,4-Dimethyl-7-isopropylazulene)

05203548

MP Biomedicals Rare Chemical collection

Wikipedia

Guaiazulene

Sigma Aldrich

G11004

包装
10, 25 g in glass bottle

参考文献

PubChem文献

数据源提供

• Fusetani, N. et al., Experientia, 1981, 37, 680, (isol)

• Jacob, T.M. et al., Tetrahedron, 1964, 20, 2821, (uv, synth)

• Aldrich Library of FT-IR Spectra: Vapor Phase, 1989, 3, 877B, (ir)

• Mukherjee, D. et al., J.A.C.S., 1979, 101, 251, (synth)

• Hoffmann, W. et al., Tet. Lett., 1975, 533, (synth)

• Sorm, F. et al., Coll. Czech. Chem. Comm., 1951, 16, 168; 626, (isol, synth)

• Herz, A., Arzneim.-Forsch., 1953, 3, 253, (pharmacol)

• Plattner, P.A. et al., Helv. Chim. Acta, 1949, 32, 2137; 2452, (synth)

• Caujolle, F. et al., Ann. Pharm. Fr., 1952, 10, 412, (pharmacol)

• Llinas, J.R. et al., Can. J. Chem., 1975, 53, 2911, (pmr, cmr)

• Aldrich Library of 13C and 1H FT NMR Spectra, 1992, 2, 40B, (nmr)

• Aldrich Library of FT-IR Spectra, 1st edn., 1985, 1, 955D, (ir)

• Li, M.K.W. et al., Tet. Lett., 1984, 25, 587, (derivs)

• Martindale, The Extra Pharmacopoeia, 31st edn., Pharmaceutical Press, 1996, 1688

• Kourounakis, A.P. et al., Arch. Pharm. (Weinheim, Ger.), 1997, 330, 7, (pharmacol)

• Vidal-Ollivier, E. et al., J. Chromatogr., 1989, 463, 227, (hplc)

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, DSJ800

生物活性

PubChem BioAssay

化合物性质

药理学性质

生物活性机理

Inhibits lipid peroxidation

Antioxidant

化合物信息

ID:85834