Dextromethorphan-d3
DEXTROMETHORPHAN-D3 · Dextromethorphan-d3 (CRM) · Dextromethorphan-D3 solution · d-3-Methoxy-N-(Methyl-d3)Morphinan · Dextromethorphan hydrobromide salt · Dextromethorphan N-Trideuteromethyl · (+)-3-Methoxy-N-(Methyl-d3)Morphinan · Dextromethorphan-D3, 1mg/ml in Methanol
識別子と物理属性
| CAS No. | 524713-56-2 |
|---|---|
| 分子式 | C18H25NO |
| 平均分子量 | 274.4 g/mol |
| 単同位体質量 | 274.21244466 g/mol |
| SMILES | [2H]C([2H])([2H])N1CCC23CCCCC2C1Cc1ccc(OC)cc13 |
| InChIKey | MKXZASYAUGDDCJ-FIBGUPNXSA-N |
| PubChem CID | 45038915 |
| EC No. | 803-955-9 |
化学・物理的性質
| XLogP | 3.4 |
|---|---|
| 極性表面積 | 12.5 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 1 |
| 重原子数 | 20 |
| 形式電荷 | 0 |
| 複雑度 | 370 |
| 融点 | 105-110°C |
| 引火点 | 9.7 °C - closed cup |
| 貯蔵条件 | -20°C Freezer |
| 溶解度 | Methanol (Soluble) |
| 外観・状態 | liquid |
| 主な用途 | 法医学と毒物学 |
| InChI | 1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1/i1D3 |
| InChIKey | MKXZASYAUGDDCJ-GQJJTUARSA-N |
| SMILES | [2H]C([2H])([2H])N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc4ccc(OC)cc34 |
化学的特性
Colourless Solid
安全性と法規制
| GHS 分類 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| 水環境危害等級（WGK） | 1 |
| 輸送番号（UN） | UN1230 - class 3 - PG 2 - Methanol, solution |
| 危険文句（R） | 11-23/24/25-39/23/24/25 |
| 危険表示 | F,T |
| 安全措置（S） | 7-16-36/37-45 |
| 危険等級 | Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1 |
| 貯蔵分類 | 3 - Flammable liquids |
用途
使用
A labelled Dextromethorphan. An antitussive drug. Orally active synthetic morphine analog. Analgesic (narcotic).
一般的な説明
Dextromethorphan, also known as DXM or DM, is an opiate cough suppressant also used recreationally as an illicit drug and hallucinogen. This stable labeled internal standard is suitable for numerous GC/MS and LC/MS applications from clinical toxicology, urine drug testing, and forensic analysis to pain management testing and isotope dilution methods.