페녹시벤즈아민 하이드로클로라이드
페녹시벤즈아민하이드로클로라이드 · PHENOXYBENZAMINE · PHENOXYBENZAMINE HCL · dibenzyline · 688A · Bensylyt · benzylyt · SKF-688A
식별자 및 물리적 특성
| CAS No. | 63-92-3 |
|---|---|
| 분자식 | C18H22ClNO.ClH |
| 평균 분자량 | 340.3 g/mol |
| 단동위원소 질량 | 339.1156697 g/mol |
| SMILES | CC(COc1ccccc1)N(CCCl)Cc1ccccc1.Cl |
| InChIKey | VBCPVIWPDJVHAN-UHFFFAOYSA-N |
| PubChem CID | 5284441 |
| ChEMBL | CHEMBL1200787 |
| ChEBI | CHEBI:8078 |
| EC No. | 200-569-7 |
| DTXSID | DTXSID0021127 |
| 현지명 | 페녹시벤즈아민 하이드로클로라이드 |
화학 및 물리적 성질
| 극성 표면적 | 12.5 |
|---|---|
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 8 |
| 무거운 원자 수 | 22 |
| 형식 전하 | 0 |
| 복잡도 | 262 |
| 용해도 | less than 0.1 mg/mL at 65.3 °F (NTP, 1992)45.8 [ug/mL] (The mean of the results at pH 7.4)에탄올, DMSO 및 디메틸 포름아미드(DMF)와 같은 유기 용매에 용해됩니다. |
| Human Drugs | FDA approved drugs -> Active ingredient |
| 녹는점 | 280 to 284 °F (NTP, 1992)137.5°C |
| Physical Description | Phenoxybenzamine hydrochloride is a white crystalline powder. Melting point 137.5-140 °C. Used as an antihypertensive drug. |
| Collision Cross Section | 194.2 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 저장 조건 | 15-25°C |
| pKa(산도 계수) | pKa 4.4 (Uncertain) |
| 물리적 상태 | 가루 |
| 색상 | 하얀색 |
| 용해도 | 18.5 ºC에서 <0.01g/100mL |
| Merck | 14,7256 |
| 안정성 | 공급된 상태로 2년 동안 안정적입니다. DMSO 또는 증류수에 용해된 용액은 -20°C에서 최대 3개월 동안 보관할 수 있습니다. |
| InChI | 1S/C18H22ClNO.ClH/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3 |
| InChIKey | VBCPVIWPDJVHAN-UHFFFAOYSA-N |
| SMILES | Cl[H].CC(COc1ccccc1)N(CCCl)Cc2ccccc2 |
| EPA | N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzylamine hydrochloride (63-92-3) |
화학적 성질
white crystalline solid or powder. Odorless. soluble in ethanol, chloroform, propylene glycol, slightly soluble in benzene, slightly soluble in cold water. The melting point of its free base is 38-40 ° C, and it is soluble in benzene.
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.DangerH350: May cause cancer [Danger Carcinogenicity] |
|---|---|
| 규제 정보 | Hazard Traits - CarcinogenicityBenzenemethanamine, N-(2-chloroethyl)-N-(1-methyl-2-phenoxyethyl)-, hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 기타 안전 정보 | IMAP assessments - Benzenemethanamine, N-(2-chloroethyl)-N-(1-methyl-2-phenoxyethyl)-, hydrochloride: Human health tier I assessment |
| 화재 위험 | Flash point data are not available for this chemical, but it is probably combustible. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: Symptoms of exposure to this compound include nasal congestion, miosis, postural hypotension, tachycardia, gastrointestinal irritation, drowsiness and fatigue. |
| 반응성 그룹 | Ethers |
| Air and Water Reactions | Light sensitive and may be sensitive to exposure to air (NTP, 1992). Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute toxicity (Oral) - Category 5Carcinogenicity - Category 1B |
| 소화 | Fires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
용도
개요
Phenoxybenzamine hydrochloride (dibenzyline) is an orally effective, long-acting non-selective (alpha1 and alpha2) alpha-adrenoceptor blocking agent. It is used for the control of episodes of hypertension associated withpheochromocytoma. It literally produces a "chemical sympathectomy". It increases blood flow to the skin, mucosa and abdominal viscera, and lowers both supine and erect blood pressures. It has no effect on the parasympathetic system. The initialdose is 10 mg/day, increased by 10 mg every 4 days till the desired response is attained.The usual dosage range is 20-60mg/day.
용도
Phenoxybenzamine (5.0 to 60.0 mg/day) is used in order to control episodes of hypertension and sweating, it has a relatively slow onset and prolonged effect when compared to alternative α-blockers. If tachycardia is excessive, it may also be necessary to use a betablocker concomitantly. In addition, phenoxybenzamine has been tested for its efficacy in micturition disorders resulting from neurogenic bladder, functional outlet obstruction, and partial prostatic obstruction.
일반 설명
Phenoxybenzamine hydrochloride is a white crystalline powder. Melting point 137.5-140°C. Used as an antihypertensive drug.