Cyclohexanol, 2-((dimethylamino)methyl)-1-(3-methoxyphenyl)-, hydrochloride (1:1)

HCID 9971980

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 22204-88-2
標準SMILES: COc1cccc(C2(O)CCCCC2CN(C)C)c1.Cl
InChIKey: PPKXEPBICJTCRU-UHFFFAOYSA-N
分子式: C16H26ClNO2
平均分子量: 299.83 g/mol

概要

See also: Tramadol (annotation moved to); Tramadol Hydrochloride (annotation moved to).

名称と識別子

優先名称: Cyclohexanol, 2-((dimethylamino)methyl)-1-(3-methoxyphenyl)-, hydrochloride (1:1)
IUPAC: 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride

名称と別名

2914-78-5RefChem:1082549Cyclohexanol, 2-((dimethylamino)methyl)-1-(3-methoxyphenyl)-, hydrochloride (1:1)cis-Tramadol HCl2-(dimethylaminomethyl)-1-(3-methoxyphenyl)cyclohexanol hydrochlorideTramalTramadol Hydrochloride (cis/trans)2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride22204-88-2(1R,2S)-Tramadol HydrochlorideSCHEMBL405855CHEMBL1237065

名称をさらに表示

PPKXEPBICJTCRU-UHFFFAOYSA-NTramadol Impurity N1 Hydrochloride1189374-50-2PXB37450AKOS026677578FT28362FT28363DB-015803

データベース識別子

CAS: 22204-88-2、2914-78-5
PubChem CID: 9971980
EC Number: 683-089-4

物性

構造計算による物性

極性表面積: 32.7 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 20
形式電荷: 0
複雑度: 282

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (41.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 94 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.