基本情報
- CAS
148262-77-5- 標準SMILES
CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1.Cl- InChIKey
IRGWVAWLHXDKIX-PBCQUBLHSA-N- 分子式
- C15H24ClNO2
- 平均分子量
- 285.81 g/mol
- 単同位体質量
- 285.1495567
名称と識別子
- 優先名称
- O-Desmethyl tramadol hydrochloride
- IUPAC
- 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol;hydrochloride
- 英語名
- O-DesMethyl TraMadol Hydrochloride
- 分子式
- C15H24ClNO2
- 分子量
- 285.81
名称と別名
O-Desmethyl Tramadol Hydrochloride185453-02-5O-demethyltramadol hydrochlorideXL5VDC061EPhenol, 3-(2-((dimethylamino)methyl)-1-hydroxycyclohexyl)-, hydrochloride, cis-Phenol, 3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)-, hydrochloride (1:1), rel-Phenol, 3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)-, hydrochloride, rel-RefChem:202373148262-77-5O-Desmethyltramadol hydrochloride3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol;hydrochlorideO-Desmethyltramadol HCl
名称をさらに表示
Tramadol EP Impurity DTramadol EP Impurity D HClTraMadol Hydrochloride IMpurity-D(EP)O-Desmethyl-cis-tramadol (hydrochloride)Tramadol Impurity 4（Tramadol EP Impurity D）O-DesMethyl TraMadol Hydrochloride ImpurityTramadol EP Impurity D HCl ( and Enantiomer)O-Desmethyl-cis-tramadol (hydrochloride) (CRM)(±)-(cis)-O-Desmethyl cis-tramadol hydrochlorideTramadol Hydrochloride Impurity D as Hydrochloride
3-((1R,2R)-2-((Dimethylamino)methyl)-1-hydroxycyclohexyl)phenol hydrochloride3-[(1R,2R)-2-[(Dimethylamino)methyl]-1-hydroxycyclohexyl]phenol HydrochlorideO-Desmethyl-cis-tramadol.HClO-Desmethyl Tramadol Hydrochloride (1.0 mg/mL in Methanol)Phenol, 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-, hydrochloride (1:1)(+)-O-Desmethyl Tramadol Hydrochloride (>90%)UNII-XL5VDC061EO-Desmethyl Tramadol Hydrochloride (1.0mg/ml in Acetonitrile)
データベース識別子
- CAS
148262-77-5、185453-02-5- PubChem CID
- 9838802
- DTXSID
DTXSID601355971- UNII
- XL5VDC061E
- EC Number
- 641-586-3
物性
構造計算による物性
- 極性表面積
- 43.7 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 269
物理化学的性質
- 融点
- 219 · 219-221C
- 貯蔵温度
- -20 °C · -20°C Freezer
- 溶解性
- Methanol (Slightly), Water (Slightly)
- 外見
- Solid
- 色
- White to off-white
化学的性質
化学的特性White Solid
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 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P273, P301+P316, P304+P340, P319, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 3 (100%)
安全データ
- wgk
- 3
化学と産業
薬理情報
MeSH Pharmacological ClassificationCompounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS.
応用分野
説明O-Desmethyl-cis-tramadol (hydrochloride) (CRM) (Item No. 18751) is a certified reference material that is structurally categorized as an opioid. It is the main metabolite of cis-tramadol (Item Nos. ISO60149 | 15919). O-Desmethyl-cis-tramadol has ~400-500-fold higher affinity for μ-opioid receptors than the parent compound. However, O-desmethyl-cis-tramadol poorly suppresses the human serotonin transporter, unlike cis-tramadol. This product is intended for research and forensic applications.
使用A metabolite of Tramadol, an analgesic.
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