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

HCID 9971980CAS 22204-88-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cccc(C2(O)CCCCC2CN(C)C)c1.Cl
InChIKey: PPKXEPBICJTCRU-UHFFFAOYSA-N
분자식: C16H26ClNO2
평균 분자량: 299.83 g/mol

개요

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

이름 및 식별자

우선 이름: Cyclohexanol, 2-((dimethylamino)methyl)-1-(3-methoxyphenyl)-, hydrochloride (1:1)
IUPAC: 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 32.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 20
형식 전하: 0
복잡도: 282

안전 및 규제

GHS 분류

GHS Classification · 4건

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.