基本情報
- CAS
73806-49-2- 標準SMILES
COc1cccc([C@@]2(O)CCCC[C@H]2CN(C)C)c1.Cl- InChIKey
PPKXEPBICJTCRU-DMLYUBSXSA-N- 分子式
- C16H26ClNO2
- 平均分子量
- 299.83 g/mol
- 単同位体質量
- 299.1652068
名称と識別子
- 優先名称
- trans-Tramadol hydrochloride
- IUPAC
- trans-(1R,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
- 英語名
- Tramadol hydrochloride
- 分子式
- C16H25NO2.ClH
- 分子量
- 299.84
名称と別名
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)-
名称をさらに表示
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
データベース識別子
- CAS
73806-49-2- PubChem CID
- 63014
- DTXSID
DTXSID60224225- UNII
- 5S5NK3Y57M
- EC Number
- 641-583-7
物性
構造計算による物性
- 極性表面積
- 32.7 Ų
- 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
物理化学的性質
- 貯蔵温度
- -10 to · -10 to -25°C
- 主な用途
- 医薬品
- 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+]
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
安全データ
- wgk
- WGK 3
- hs_code
- 2922504500
- Hazard Classifications
- Acute Tox. 3 Oral
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
応用分野
使用A 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.
関連反応
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化合物ノート
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