CAS 1218-35-5|2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole hydrochloride|xylometazoline hydrochloride|Xylometazoline HCl|Xymelin|Neo-Rinoleina|Xylometazoline Hydrochloride|No...

基本信息

化学结构

分子式

C₁₆H₂₅ClN₂

分子量

280.8361

精确质量

280.17062649

电荷

InChI

InChI=1S/C16H24N2.ClH/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15;/h8-9H,6-7,10H2,1-5H3,(H,17,18);1H

InChIKey

YGWFCQYETHJKNX-UHFFFAOYSA-N

Canonic Smiles

Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C.Cl

Isomeric Smiles

N1=C(NCC1)Cc1c(cc(cc1C)C(C)(C)C)C.Cl

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

1.3619118

LogD (pH = 7.4)

1.48564

Log P

3.7755392

摩尔折射率

77.8176

极化性

29.674038

极化表面积

24.39

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

2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole hydrochloride

IUPAC传统名

xylometazoline hydrochloride stas hydrochloride

别名

Xylometazoline HClXymelinNeo-RinoleinaXylometazoline HydrochlorideNovorinBrizolinOlynthGalazolin2-(4-tert-Butyl-2,6-dimethylbenzyl)-2-imidazoline Monohydrochloride2-[[4-(1,1-Dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-1H-imidazole HydrochlroideOtrivin HydrochlorideTherapinNeo-Synephrine II2-(4-tert-Butyl-2,6-dimethylbenzyl)-4,5-dihydro-1H-imidazole hydrochlorideXylometazoline hydrochloride2-(4-tert-Butyl-2,6-dimethylbenzyl)-2-imidazoline hydrochlorideXylometazoline hydrochloride

名称和标识

数据登录号

CAS号

MDL号

PubChem SID

EC号

PubChem CID

数据登录号

化合物性质

药理学性质

化合物信息

ID:89367