Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
덱스트로메트로판-D3
덱스트로메트로판-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
식별자 및 물리적 특성
| CAS No. | 524713-56-2 |
|---|---|
| 분자식 | C18H25NO |
| 평균 분자량 | 274.4 g/mol |
| 단동위원소 질량 | 274.21244466 g/mol |
| SMILES | [2H]C([2H])([2H])N1CCC23CCCCC2C1Cc1ccc(OC)cc13 |
| InChIKey | MKXZASYAUGDDCJ-FIBGUPNXSA-N |
| PubChem CID | 45038915 |
| EC No. | 803-955-9 |
| 현지명 | 덱스트로메트로판-D3 |
화학 및 물리적 성질
| XLogP | 3.4 |
|---|---|
| 극성 표면적 | 12.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 20 |
| 형식 전하 | 0 |
| 복잡도 | 370 |
| 녹는점 | 105-110°C |
| 인화점 | 9.7 °C - closed cup |
| 저장 조건 | -20°C Freezer |
| 용해도 | Methanol (Soluble) |
| 물리적 상태 | liquid |
| 주요 응용 | 법의학 및 독성학 |
| 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 |
화학적 성질
Colourless Solid
안전 및 규제
| GHS 분류 | 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%) |
| 수질 위해 등급(WGK) | 1 |
| 운송 번호(UN) | UN1230 - class 3 - PG 2 - Methanol, solution |
| 위험 문구(R) | 11-23/24/25-39/23/24/25 |
| 위험 표시 | F,T |
| 안전 문구(S) | 7-16-36/37-45 |
| 위험 등급 | Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
A labelled Dextromethorphan. An antitussive drug. Orally active synthetic morphine analog. Analgesic (narcotic).
일반 설명
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.