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기본 정보
- CAS
1194550-61-2- 표준 SMILES
CC(C)(C)OC(=O)N1CCc2c(cc(Cl)c(C(=O)N[C@@H](Cc3cccc(S(C)(=O)=O)c3)C(=O)OCc3ccccc3)c2Cl)C1- InChIKey
ZTYYSZJSTXFVKI-SANMLTNESA-N- 분자식
- C32H34Cl2N2O7S
- 평균 분자량
- 661.604 g/mol
- 단동위원소 질량
- 660.14637779
이름 및 식별자
- 우선 이름
- 1,1-Dimethylethyl 5,7-dichloro-3,4-dihydro-6-[[[(1S)-1-[[3-(methylsulfonyl)phenyl]methyl]-2-oxo-2-(phenylmethoxy)ethyl]amino]carbonyl]-2(1H)-isoquinolinecarboxylate
- 영어명
- 2(1H)-Isoquinolinecarboxylic acid, 5,7-dichloro-3,4-dihydro-6-[[[(1S)-1-[[3-(methylsulfonyl)phenyl]methyl]-2-oxo-2-(phenylmethoxy)ethyl]amino]carbonyl]-, 1,1-dimethylethyl ester
- 분자식
- C32H34Cl2N2O7S
- 분자량
- 661.59
이름 및 동의어
Lifitegrast RC6Ritastal impuritiesLitakast Impurity 19Lifitegrast Impurity 1(S)-tert-butyl 6-((1-(benzyloxy)-3-(3-(methylsulfonyl)phenyl)-1-oxopropan-2-yl)carbamoyl)-5,7-dichloro-3,4-dihydroisoquinoline-2(1H)-carboxylatetert-butyl (S)-6-((1-(benzyloxy)-3-(3-(methylsulfonyl)phenyl)-1-oxopropan-2-yl)carbamoyl)-5,7-dichloro-3,4-dihydroisoquinoline-2(1H)-carboxylatetert-Butyl (S)-6-((1-(benzyloxy)-3-(3-(methylsulfonyl)phenyl)-1-oxopropan-2-yl)carbamoyl)-5,7-dichloro-3,4-dihydroisoquinoline-2(1H)-carboxylate (Lifitegrast impurity)2(1H)-Isoquinolinecarboxylic acid, 5,7-dichloro-3,4-dihydro-6-[[[(1S)-1-[[3-(methylsulfonyl)phenyl]methyl]-2-oxo-2-(phenylmethoxy)ethyl]amino]carbonyl]-, 1,1-dimethylethyl ester
데이터베이스 식별자
- CAS
1194550-61-2- PubChem CID
- 44514644
- DTXSID
DTXSID801099464
물성
물리화학적 성질
- 끓는 점
- 764.9 · 764.9±60.0 °C(Predicted)
- 밀도
- 1.335 · 1.335±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.16 · 11.16±0.20(Predicted)
화학 및 산업
상·하류 제품 정보
하류 제품
공급사33 곳
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