CAS 3568-94-3|4-Methylaminorex|4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine|@4-methylaminorex|4,5-Dihydro-4-methyl-5-phenyl-2-oxazolamine|4-methylaminorex|4-Methyl Aminorex|McN 822|2-Amino-4-met...

基本信息

化学结构

分子式

C₁₀H₁₂N₂O

分子量

176.21508

精确质量

176.09496301

电荷

InChI

InChI=1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12)

InChIKey

LJQBMYDFWFGESC-UHFFFAOYSA-N

Canonic Smiles

CC1N=C(OC1c1ccccc1)N

Isomeric Smiles

O1C(C(N=C1N)C)c1ccccc1

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

0.2132686

LogD (pH = 7.4)

1.651114

Log P

1.8787307

摩尔折射率

50.1669

极化性

19.51288

极化表面积

47.61

可自由旋转的化学键

里宾斯基五规则

true

ALOGPS 2.1

Log P

1.47

LOG S

-2.58

溶解度

4.68e-01 g/l

数据来源

学术数据

产品目录

数据来源

名称和标识

别名

4-Methylaminorex4,5-Dihydro-4-methyl-5-phenyl-2-oxazolamine4-Methyl AminorexMcN 8222-Amino-4-methyl-5-phenyl-2-oxazoline

IUPAC标准名

4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine

IUPAC传统名

@4-methylaminorex 4-methylaminorex

名称和标识

数据登录号

CAS号

3568-94-3

PubChem SID

46508135160964713

PubChem CID

92196

数据登录号

化合物性质

产品相关信息

质检报告

下载链接

安全信息

MSDS下载

下载链接

化合物性质

分子相关蛋白质

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分子图谱

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描述信息

DrugBank

DB01447

Drug Groups

illicit; experimental

References

• Bunker CF, Johnson M, Gibb JW, Bush LG, Hanson GR: Neurochemical effects of an acute treatment with 4-methylaminorex: a new stimulant of abuse. Eur J Pharmacol. 1990 May 3;180(1):103-11. [Pubmed]

• Hanson GR, Bunker CF, Johnson M, Bush L, Gibb JW: Response of monoaminergic and neuropeptide systems to 4-methylaminorex: a new stimulant of abuse. Eur J Pharmacol. 1992 Aug 6;218(2-3):287-93. [Pubmed]

• Zheng Y, Russell B, Schmierer D, Laverty R: The effects of aminorex and related compounds on brain monoamines and metabolites in CBA mice. J Pharm Pharmacol. 1997 Jan;49(1):89-96. [Pubmed]

External Links

• [Wikipedia]

TRC

M287225

4-Methylaminorex is a stimulant drug of the 2-amino-5-aryloxazoline class. 4-Methylaminorex has effects similar to Methamphetamine (M258795) but with much longer duration. Studies show that effects of 4-Methylaminorex are stimulant in nature, producing eu

描述信息

参考文献

PubChem文献

数据源提供

• Zheng Y, Russell B, Schmierer D, Laverty R: The effects of aminorex and related compounds on brain monoamines and metabolites in CBA mice. J Pharm Pharmacol. 1997 Jan;49(1):89-96. Pubmed

• Bunker CF, Johnson M, Gibb JW, Bush LG, Hanson GR: Neurochemical effects of an acute treatment with 4-methylaminorex: a new stimulant of abuse. Eur J Pharmacol. 1990 May 3;180(1):103-11. Pubmed

• Glennon, R.A. et al.: Pharmacol. Biochem. Behav., 35, 517 (1992)

• Kankaanpaa, A. et al.: J. Pharmacol. Exp. Therap., 300, 450 (1992)

• Young, R. et al.: Pharmacol. Biochem. Behav., 42 , 175 (1992)

参考文献

生物活性

PubChem BioAssay

生物活性

导航

基本信息

计算属性

• RDKit

• JChem