Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Orphenadrine
Biorphen · C07935 · Disipal · WS 2434 · Orphenadine · Orphenadrin · Orphenedrine · orphenadrine
식별자 및 물리적 특성
| CAS No. | 83-98-7 |
|---|---|
| 분자식 | C18H23NO |
| 평균 분자량 | 269.4 g/mol |
| 단동위원소 질량 | 269.17796436 g/mol |
| SMILES | Cc1ccccc1C(OCCN(C)C)c1ccccc1 |
| InChIKey | QVYRGXJJSLMXQH-UHFFFAOYSA-N |
| PubChem CID | 4601 |
| ChEMBL | CHEMBL900 |
| ChEBI | CHEBI:7789 |
| EC No. | 201-509-2 |
| DTXSID | DTXSID3023396 |
화학 및 물리적 성질
| XLogP | 3.8 |
|---|---|
| 극성 표면적 | 12.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 20 |
| 형식 전하 | 0 |
| 복잡도 | 260 |
| 의약품 | Pharmaceuticals |
| LogP(분배 계수) | 3.63.77 |
| Color/Form | LIQUID |
| 용해도 | Sparingly soluble in waterBITTER TASTE & PRACTICALLY NO ODORWHITE, CRYSTALLINE POWDERSOL IN ACID SOLN /CITRATE/SOL IN WATER, ALCOHOL, CHLOROFORMSPARINGLY SOL IN ACETONE, BENZENEPRACTICALLY INSOL IN ETHER /HYDROCHLORIDE/3.00e-02 g/L |
| Human Drugs | Breast FeedingLactationMilk, HumanAntiparkinson AgentsCholinergic AntagonistsMuscle Relaxants, CentralParasympatholyticsMuscarinic AntagonistsPharmaceuticals |
| 끓는 점 | 195 °C @ 12 ATMbp12 195° |
| 녹는점 | < 25 °CCRYSTALSMP: 156-157 °CPH OF AQ SOLN ABOUT 5.5 /HYDROCHLORIDE/156 - 157 °C25°C |
| Physical Description | Solid |
| Stability/Shelf Life | SENSITIVE TO LIGHT /CITRATE/ORPHENADRINE BASE PPT FROM AQ ALKALINE SOLN |
| Dissociation Constants | 8.91 |
| Collision Cross Section | 172.5 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID5025815]169.51 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | SPARINGLY SOL IN WATER, SLIGHTLY SOL IN ETHANOLINSOL IN CHLOROFORM, DIETHYL ETHER & BENZENEVERY SLIGHTLY SOL IN ACETONEMP: 136 DEC C /CITRATE/ |
| 밀도 | 1.0278 (rough estimate) |
| 굴절률 | 1.5740 (estimate) |
| pKa(산도 계수) | pKa 8.4 (Uncertain) |
| 물리적 상태 | Solid |
| 색상 | Light yellow to brown |
| 용해도 | 1.801mg/L(22.5℃) |
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 1 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | REACH registered substance: Orphenadrine (EC: 201-509-2)Orphenadrine: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Ethanamine, N,N-dimethyl-2-[(2-methylphenyl)phenylmethoxy]-: Human health tier I assessment |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Treatment | Treatment for orphenadrine overdose is evacuation of stomach contents (when necessary), charcoal at repeated doses, intensive monitoring, and appropriate supportive treatment of any emergent anticholinergic effects. (L1712) |
| 상호 작용 | ORPHENADRINE HAS BEEN REPORTED TO ENHANCE CNS EFFECTS OF PROPOXYPHENE WHEN THESE DRUGS ARE USED CONCURRENTLY.IN MICE BOTH NEOSTIGMINE & PHYSOSTIGMINE INCREASED TOXICITY OF ORPHENADRINE. BUT ARECOLINE...PROVIDED SIGNIFICANT PROTECTION AGAINST ACUTE LETHAL EFFECTS. |
| Hepatotoxicity | Despite its long clinical use, there is no evidence of hepatotoxicity with orphenadrine. Several cases of severe orphenadrine overdose with cardio-respiratory arrest and ischemic hepatic injury have been reported. Conventional doses of orphenadrine appear to be free of hepatic injury. |
| 노출 경로 | Orphenadrine is almost completely absorbed in the gastrointestinal tract. |
| 독성 요약 | Orphenadrine binds and inhibits both histamine H1 receptors and NMDA receptors. It restores the motor disturbances induced by neuroleptics, in particular the hyperkinesia. The dopamine deficiency in the striatum increases the stimulating effects of the cholinergic system. This stimulation is counteracted by the anticholinergic effect of orphenadrine. It may have a relaxing effect on skeletal muscle spasms and it has a mood elevating effect. |
| Human Toxicity Excerpts | ...COMMONLY PRODUCE...LETHARGY, ATAXIA, & NYSTAGMUS. ...VOMITING, HEARTBURN, & ABDOMINAL DISTRESS ARE ALSO OBSERVED, ESP AFTER LARGE ORAL DOSES. HYPERSENSITIVITY REACTIONS INCL SKIN RASH & PRURITUS &, RARELY, ANAPHYLACTOID REACTIONS & LEUKOPENIA. /CENTRALLY ACTING MUSCLE RELAXANTS/ |
용도
용도
Relaxant (skeletal muscle); antihistaminic.