프로카인아미드하이드로클로라이드
프로카인아미드하이드로클로라이드 · 벤자마이드,4-아미노-N-(2-(다이에틸아미노)에틸)-,하이드로클로라이드(1:1) · PROCAINAMIDE HCL · Pronestyl · Procapan · Procanbid · Promide · Amisalin
식별자 및 물리적 특성
| CAS No. | 614-39-1 |
|---|---|
| 분자식 | C13H22ClN3O |
| 평균 분자량 | 271.78 g/mol |
| 단동위원소 질량 | 271.14514 g/mol |
| SMILES | CCN(CC)CCNC(=O)c1ccc(N)cc1.Cl |
| InChIKey | ABTXGJFUQRCPNH-UHFFFAOYSA-N |
| PubChem CID | 66068 |
| ChEMBL | CHEMBL605 |
| EC No. | 210-381-7 |
| DTXSID | DTXSID2049422 |
| 현지명 | 프로카인아미드하이드로클로라이드 |
화학 및 물리적 성질
| 극성 표면적 | 58.4 |
|---|---|
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 18 |
| 형식 전하 | 0 |
| 복잡도 | 221 |
| 용해도 | >40.8 [ug/mL] (The mean of the results at pH 7.4)H2O: 가용성 1g/10mL, 투명하고 녹황색 |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Collision Cross Section | 155.8 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 녹는점 | 165-168 °C |
| 밀도 | 1.2027 (rough estimate) |
| 굴절률 | 1.6330 (estimate) |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 가루 |
| 색상 | 흰색에서 약간 노란색 |
| 용해도 | 녹는 |
| Merck | 13,7845 |
| BRN | 3729517 |
| InChI | InChI=1S/C13H21N3O.ClH/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)1H |
| InChIKey | ABTXGJFUQRCPNH-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(N)C=C1)C(=O)NCCN(CC)CC.Cl |
| EPA | Benzamide, 4-amino-N-[2-(diethylamino)ethyl]-, monohydrochloride (614-39-1) |
화학적 성질
Procainamide hydrochloride is a white or light yellow crystalline powder with a melting point of 165–169 °C. It is soluble in water and ethanol, slightly soluble in chloroform, and very slightly soluble in ether or benzene. It is odorless and hygroscopic.
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 기타 안전 정보 | IMAP assessments - Benzamide, 4-amino-N-[2-(diethylamino)ethyl]-, monohydrochloride: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)Procainamide hydrochloridevLess-DILI-concern4Adverse reactionsDOI:10.1016/j.drudis.2016.02.015 |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | CV2295000 |
| 관세 코드 | 29242990 |
| 위험 문구(R) | 22-36/37/38 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-36-37/39 |
| 위험 등급 | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Procainamide hydrochloride (PAH) is suitable to investigate its binding behavior with human serum albumin and bovine serum albumin by fluorescence quenching study to understand the pharmacokinetic and pharmacodynamic mechanisms of PAH.
일반 설명
Procainamide hydrochloride,p-amino-N-[2-(diethylamino)ethyl]benzamidemonohydrochloride, procainamidium chloride (Pronestyl,Procan SR), has emerged as a major antiarrhythmic drug. Itwas developed in the course of research for compoundsstructurally similar to procaine, which had limited effectas an antiarrhythmic agent because of its central nervoussystem (CNS) side effects and short-lived action causedby rapid hydrolysis of its ester linkage by plasma esterases.Because of its amide structure, procainamide hydrochlorideis also more stable in water than is procaine. Aqueoussolutions of procainamide hydrochloride have a pH ofabout 5.5. A kinetic study of the acid-catalyzed hydrolysisof procainamide hydrochloride showed it to be unusuallystable to hydrolysis in the pH range 2 to 7, even at elevatedtemperatures.