Basic information
- CAS
73806-49-2- Standard SMILES
COc1cccc([C@@]2(O)CCCC[C@H]2CN(C)C)c1.Cl- InChIKey
PPKXEPBICJTCRU-DMLYUBSXSA-N- Molecular formula
- C16H26ClNO2
- Average molar mass
- 299.83 g/mol
- Monoisotopic mass
- 299.1652068
Names & identifiers
- Preferred name
- trans-Tramadol hydrochloride
- IUPAC
- trans-(1R,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
- English name
- Tramadol hydrochloride
- Molecular formula
- C16H25NO2.ClH
- Molecular weight
- 299.84
Names & synonyms
trans-Tramadol hydrochloride73806-49-2CrispinUNII-5S5NK3Y57MTramadol hydrochloride, trans-5S5NK3Y57MDTXSID60224225Cyclohexanol, 2-((dimethylamino)methyl)-1-(3-methoxyphenyl)-, hydrochloride, (1R,2S)-rel-Cyclohexanol, 2-((dimethylamino)methyl)-1-(3-methoxyphenyl)-, hydrochloride, trans-Cyclohexanol, 2-((dimethylamino)methyl)-1-(m-methoxyphenyl)-, hydrochloride, (E)-(RS,SR)-1-(3-METHOXYPHENYL)-2-(DIMETHYLAMINOMETHYL)CYCLOHEXANOL HYDROCHLORIDE1-(3-METHOXYPHENYL)-2-(DIMETHYLAMINOMETHYL)CYCLOHEXANOL HYDROCHLORIDE, (RS,SR)-
Show more names
k-315cg315TRAMODOL HCLAURORA KA-863Tramadol Impurity 5CIS-TRAMADOL HYDROCHLORIDETraMadol Hydrochloride, EPO-DESMETHYL-CIS-TRAMADOL HCLrel (1R,2S)-Tramadol Hydrochloride
Cyclohexanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-, hydrochloride, (1R,2S)-rel-RS,SR-1-(3-METHOXYPHENYL)-2-(DIMETHYLAMINOMETHYL-CYCLOHEXANOL HYDROCHLORIDECYCLOHEXANOL, 2-((DIMETHYLAMINO)METHYL)-1-(3-METHOXYPHENYL)-, HYDROCHLORIDE (1:1), (1R,2S)-REL-RefChem:190675DTXCID60146716trans-Tramadol HCl(1R,2S)-Tramadol Hydrochloride(1R,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
Properties
Computed structural properties
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- storage temp.
- -10 to · -10 to -25°C
- Major Application
- pharmaceutical
- InChI
- 1S/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16-;/m0./s1
- InChIKey
- PPKXEPBICJTCRU-DMLYUBSXSA-N
- SMILES
- [Cl-].N(C[C@H]1[C@@](CCCC1)(O)c2cc(ccc2)OC)(C)C.[H+]
- FDA UNII
- 5 S5NK3Y57M · 5S5NK3Y57M
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H411
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- WGK Germany
- 3 · WGK 3
- HS Code
- 2922504500 · 2922504500
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P301+P317, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Informationtrans-Tramadol hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (66.7%)
Safety data
- wgk
- WGK 3
- hs_code
- 2922504500
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H302-H411
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesA Tramadol(T712500) impurity classified as an analgesic. Used in the preparation of analogs which can potentially be used in the treatment of opiate receptor-mediated disorder.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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