CAS 22204-88-2 Cyclohexanol, 2-((dimethylamino)methyl)-1-(3-methoxyphenyl)-, hydrochloride (1:1) (HCID 9971980)

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Basic information

CAS: 22204-88-2
Standard SMILES: COc1cccc(C2(O)CCCCC2CN(C)C)c1.Cl
InChIKey: PPKXEPBICJTCRU-UHFFFAOYSA-N
Molecular formula: C16H26ClNO2
Average molar mass: 299.83 g/mol

Overview

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

Names & identifiers

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

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 282

Safety & regulation

GHS classification

GHS Classification · 4 items

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.