기본 정보
- CAS
102293-39-0- 표준 SMILES
CCN(CC)C(=O)Nc1ccc(OC[C@@H](O)CNC(C)(C)C)c(C(C)=O)c1.Cl- InChIKey
VKJHTUVLJYWAEY-NTISSMGPSA-N- 분자식
- C20H34ClN3O4
- 평균 분자량
- 416 g/mol
- 단동위원소 질량
- 415.2237843
이름 및 식별자
- 우선 이름
- Urea, N'-(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-N,N-diethyl-, monohydrochloride, (S)-
- IUPAC
- 3-[3-acetyl-4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea;hydrochloride
- 영어명
- NBP 583
- 분자식
- C20H34ClN3O4
- 분자량
- 415.96
이름 및 동의어
102293-39-0NBP-583Urea, N'-(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-N,N-diethyl-, monohydrochloride, (S)-(-)-3-(3-Acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-1,1-diethylurea hydrochlorideDTXSID90144881Urea, N'-[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-N,N-diethyl-, monohydrochloride, (S)-RefChem:387688DTXCID7067372(S)-(-)-Celiprolol Hydrochloride3-[3-acetyl-4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea;hydrochlorideUrea, N'-[3-acetyl-4-[(2S)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-N,N-diethyl-, hydrochloride (1:1)C20H34ClN3O4
이름 더 보기
NBP 583N'-[3-Acetyl-4-[(2S)-3-[(1,1-diMethylethyl)aMino]-2-hydroxypropoxy]phenyl]-N,N-diethylurea HydrochlorideUrea, N-[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-N,N-diethyl-, monohydrochloride, (S)-
PL852P7DYWSCHEMBL349228Celiprolol hydrochloride, (S)-MFCD03265599(-)-NBP-5833-[3-acetyl-4-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1,1-diethyl-urea;hydrochlorideN'-{3-Acetyl-4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]phenyl}-N,N-diethylurea--hydrogen chloride (1/1)
데이터베이스 식별자
- CAS
102293-39-0- PubChem CID
- 12825779
- DTXSID
DTXSID90144881- UNII
- PL852P7DYW
물성
구조 계산 물성
- 극성 표면적
- 90.9 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 474
물리화학적 성질
- 용해도
- Chlroform (Slightly), DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
화학 및 산업
응용 분야
용도Cardioselective β1-adrenergic blocker. Antihypertensive, antianginal.
공급사4 곳
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