Urea, N,N'-bis(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-

HCID 147890
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기본 정보

CAS
125579-40-0
표준 SMILES
CC(=O)c1cc(NC(=O)Nc2ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c2)ccc1OCC(O)CNC(C)(C)C
InChIKey
QPWPODQCWFCWKS-UHFFFAOYSA-N
분자식
C31H46N4O7
평균 분자량
586.7 g/mol

이름 및 식별자

우선 이름
Urea, N,N'-bis(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-
IUPAC
1,3-bis[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]urea
영어명
Celiprolol EP Impurity B
분자식
C31H46N4O7
분자량
586.72

이름 및 동의어

125579-40-0CCRIS 42091,3-bis[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]ureaN-113N,N'-Bis(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)urea1,3-Bis(3-acetyl-4-(3-tert-butylamino)-2-hydroxypropoxyphenyl)urea1,3-Bis(3-acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)ureaUrea, N,N'-bis(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-RefChem:387750N,N'-Bis[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-ureaCeliprolol EP Impurity BUrea, N,N'-bis[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-; N 113
이름 더 보기
Celiprolol Impurity BCeliprolol Impurity 2Leuprorelin Impurity 21Celiprolol hydrochloride impurity B1,3-Bis[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]urea,N,N-Bis[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-ureaUrea,N,N'-bis[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-1,3-Bis(3-acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)urea (Celiprolol Impurity)
DTXSID10925174QPWPODQCWFCWKS-UHFFFAOYSA-NAFA57940MFCD01676888Celiprolol Hydrochloride EP Impurity B1,3-bis[3-acetyl-4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]urea1,3-bis[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2- hydroxypropoxy]phenyl]ureaN,N'-Bis{3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}carbamimidic acid

데이터베이스 식별자

CAS
125579-40-0
PubChem CID
147890
DTXSID
DTXSID10925174

물성

구조 계산 물성

XLogP
1.7
극성 표면적
158 Ų
수소 결합 공여자 수
6
수소 결합 수용자 수
9
회전 가능 결합 수
16
무거운 원자 수
42

물리화학적 성질

끓는 점
692.257 · 692.257±55.00 °C(Press: 760.00 Torr)(predicted)
밀도
1.191 · 1.191±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체
산도 계수 (pKa)
13.056 · 13.056±0.70(predicted)
색상
흰색에서 황백색까지

화학 및 산업

공급사8 곳

孟成科技（上海）有限公司400-820-6829 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

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