기본 정보
- CAS
32795-44-1- 표준 SMILES
CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1- InChIKey
KEECCEWTUVWFCV-UHFFFAOYSA-N- 분자식
- C15H23N3O2
- 평균 분자량
- 277.36 g/mol
- 단동위원소 질량
- 277.17902698
개요
N-acetylprocainamide is a benzamide obtained via formal condensation of 4-acetamidobenzoic acid and 2-(diethylamino)ethylamine. It has a role as an anti-arrhythmia drug. It is a member of acetamides and a member of benzamides.
이름 및 식별자
- 우선 이름
- N-Acetylprocainamide
- IUPAC
- 4-acetamido-N-[2-(diethylamino)ethyl]benzamide
- 영어명
- N-Acetylprocainamide
- 분자식
- C15H23N3O2
- 분자량
- 277.36
이름 및 동의어
N-AcetylprocainamideAcecainide32795-44-1AcecainidaAcekainidAcecainidumN-AcetyloprokainamidAcetylprocainamideN-acetylnovocainamideN-Acetylprocaine amide4'-((2-(Diethylamino)ethyl)carbamoyl)acetaniliden-acetyl-procainamide
이름 더 보기
TIMTEC-BB SBB005970N-ACETYLPROCAINAMIDE, 99+%N-ACETYLPROCAINAMIDE USP/EP/BPN-Acetylprocainamide (Standard)N-Acetylprocainamide, 10 mM in DMSO
Acetylprocainamide, n-Benzamide, 4-(acetylamino)-N-(2-(diethylamino)ethyl)-CHEBI:60728910Q707V6FDTXSID6048414Acecainide MonohydrochlorideN-(4-((2-(diethylamino)ethyl)carbamoyl)phenyl)ethanimidic acidN-(4-{[2-(diethylamino)ethyl]carbamoyl}phenyl)ethanimidic acid
데이터베이스 식별자
- CAS
32795-44-1- PubChem CID
- 4342
- DTXSID
DTXSID6048414- ChEMBL
CHEMBL1097- ChEBI
CHEBI:60728
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 61.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 308
실험 및 물리화학적 성질
Collision Cross Section169.16 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 138 · 138-140 °C(lit.)
- 끓는 점
- 500 · 500.0±35.0 °C(Predicted)
- 밀도
- 1.097 · 1.097±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 1 %, · 용해성 1%, 투명, 무색 ~ 희미한 노란색(1N HCl)
- 산도 계수 (pKa)
- 14.54 · 14.54±0.46(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
- 수용성
- 1 %, · soluble 1%, clear, colorless to faintly yellow (1N HCl)
- Merck
- 13 · 13,20
- InChI
- 1S/C15H23N3O2/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19)
- InChIKey
- KEECCEWTUVWFCV-UHFFFAOYSA-N
- SMILES
- CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- rtecs
- AE1974350
- ridadr
- 3249
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 포장분류
- III
- 위험 등급
- 6.1(b)
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Metabolism/MetabolitesAcecainide is a known human metabolite of Procainamide.
MeSH Pharmacological Classification
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
응용 분야
용도antiprotozoal
일반 설명The relaxant effects of N-acetylprocainamide on bovine tracheal smooth muscle was studied.
상·하류 제품 정보
상류 원료
공급사52 곳
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北科乐精细化工有限公司
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