CAS 16773-42-5|1-(3-氯-2-羟丙基)-2-甲基-5-硝基咪唑|1-chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol|1-(3-Chloro-2-hydroxypropyl)-2-methyl-5-nitroimidazole|Ornidazole|奥硝唑|ornidazole|1-Chl...

基本信息

化学结构

分子式

C₇H₁₀ClN₃O₃

分子量

219.6256

精确质量

219.04106888

电荷

InChI

InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3

InChIKey

IPWKIXLWTCNBKN-UHFFFAOYSA-N

Canonic Smiles

ClCC(Cn1c(C)ncc1[N+](=O)[O-])O

Isomeric Smiles

c1(n(c(nc1)C)CC(O)CCl)[N+](=O)[O-]

计算属性

JChem

Acid pKa

13.874782

质子受体

质子供体

LogD (pH = 5.5)

0.26448184

LogD (pH = 7.4)

0.26494068

Log P

0.2649467

摩尔折射率

49.2298

极化性

18.90888

极化表面积

81.19

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC标准名

1-chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol

别名

1-(3-氯-2-羟丙基)-2-甲基-5-硝基咪唑Ornidazole1-(3-Chloro-2-hydroxypropyl)-2-methyl-5-nitroimidazole奥硝唑1-Chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)-2-propanolMadelenBetiralKolpicidTiberal1-chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-olDanubialNSC 95075α-(Chloromethyl)-2-methyl-5-nitro-1H-imidazole-1-ethanolRo 7-0207TinerolOrnidalTibalBiteral1-[3-Chloro-2-hydroxypropyl]-2-methyl-5-nitroimidazoleORNIDAZOLE1(3-chloro-2-hydroxypropyl)-2-methyl-5-nitro imidazole

IUPAC传统名

ornidazole 1-chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol madelen

名称和标识

数据登录号

EC号

PubChem SID

CAS号

MDL号

PubChem CID

数据登录号

化合物性质

药理学性质

生物活性机理

Interacts with DNA to cause a loss of helical DNA structure and strand breakage resulting in inhibition of protein synthesis and cell death in susceptible organisms

作用靶点

Others

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

点击上传数据

描述信息

MP Biomedicals

02155999

(1-[3-Chloro-2-hydroxypropyl]-2-methyl-5-nitroimidazole)

TRC

O688500

Anti-infective.

描述信息

参考文献

PubChem文献

数据源提供

• Schwartz, D.E., et al.: Chemotherapy, 22, 19 (1970)

• Grunberg, E, et al.: Proc. Soc. Exp. Biol. Med., 133, 490 (1970)

• Hoffer, M., et al.: J. Med. Chem., 17, 1019 (1970)

• Chen, B.C. et al., Helv. Chim. Acta, 1983, 66, 1537, (N-15 nmr)

• Hoffer, M. et al., J. Med. Chem., 1974, 17, 1019, (synth, pharmacol)

• McClain, R.M. et al., Toxicol. Appl. Pharmacol., 1988, 92, 488, (tox)

• Yeung, C.H. et al., J. Reprod. Fertil., 1995, 103, 257; 1996, 106, 231, (tox)

• Nagarajan, K. et al., Indian J. Chem., Sect. B, 1982, 21, 1006, (cmr, pmr, uv, ms)

• Martindale, The Extra Pharmacopoeia, 31st edn., Pharmaceutical Press, 1996, 626

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, OJS000

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

IUPAC标准名

1-chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol

别名

IUPAC传统名

ornidazole 1-chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol madelen

数据登录号

EC号

PubChem SID

CAS号

MDL号

PubChem CID

描述信息

(1-[3-Chloro-2-hydroxypropyl]-2-methyl-5-nitroimidazole)

TRC

O688500

Anti-infective.

参考文献

PubChem文献

数据源提供

• Schwartz, D.E., et al.: Chemotherapy, 22, 19 (1970)

• Grunberg, E, et al.: Proc. Soc. Exp. Biol. Med., 133, 490 (1970)

• Hoffer, M., et al.: J. Med. Chem., 17, 1019 (1970)

• Chen, B.C. et al., Helv. Chim. Acta, 1983, 66, 1537, (N-15 nmr)

• Hoffer, M. et al., J. Med. Chem., 1974, 17, 1019, (synth, pharmacol)

• McClain, R.M. et al., Toxicol. Appl. Pharmacol., 1988, 92, 488, (tox)

• Yeung, C.H. et al., J. Reprod. Fertil., 1995, 103, 257; 1996, 106, 231, (tox)

• Nagarajan, K. et al., Indian J. Chem., Sect. B, 1982, 21, 1006, (cmr, pmr, uv, ms)

• Martindale, The Extra Pharmacopoeia, 31st edn., Pharmaceutical Press, 1996, 626

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, OJS000

生物活性

PubChem BioAssay

化合物性质

药理学性质

生物活性机理

Interacts with DNA to cause a loss of helical DNA structure and strand breakage resulting in inhibition of protein synthesis and cell death in susceptible organisms

作用靶点

Others

化合物信息

ID:53482