trans-Tramadol hydrochloride
Grundinformationen
- CAS
73806-49-2- Standard-SMILES
COc1cccc([C@@]2(O)CCCC[C@H]2CN(C)C)c1.Cl- InChIKey
PPKXEPBICJTCRU-DMLYUBSXSA-N- Summenformel
- C16H26ClNO2
- Durchschnittliche Molmasse
- 299,83 g/mol
- Monoisotopische Masse
- 299,1652068
Namen und Bezeichner
- Bevorzugter Name
- trans-Tramadol hydrochloride
- IUPAC
- trans-(1R,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
- Englischer Name
- Tramadol hydrochloride
- Summenformel
- C16H25NO2.ClH
- Molmasse
- 299.84
Namen und Synonyme
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)-
Weitere Namen anzeigen
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
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 32,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 282
Physikochemische Eigenschaften
- 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+]
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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.
Gefahrenhinweise
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%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2922504500
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 Oral
Chemie und Industrie
Anwendungen
VerwendenA 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.
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