기본 정보
- 표준 SMILES
CC(C)(C)c1cc2c(cc1NC(=O)c1c[nH]c3ccccc3c1=O)OC(=O)C2(C)C- InChIKey
WVXNTZZDMNDZHM-UHFFFAOYSA-N- 분자식
- C24H24N2O4
- 평균 분자량
- 404.5 g/mol
- 단동위원소 질량
- 404.17360725
이름 및 식별자
- 우선 이름
- N-(5-(tert-Butyl)-3,3-dimethyl-2-oxo-2,3-dihydrobenzofuran-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
- IUPAC
- N-(5-tert-butyl-3,3-dimethyl-2-oxo-1-benzofuran-6-yl)-4-oxo-1H-quinoline-3-carboxamide
- 영어명
- 3-QuinolinecarboxaMide, N-[5-(1,1-diMethylethyl)-2,3-dihydro-3,3-diMethyl-2-oxo-6-benzofuranyl]-1,4-dihydro-4-oxo-
- 분자식
- C24H24N2O4
- 분자량
- 404.46
이름 및 동의어
1246213-41-1N-(5-(tert-Butyl)-3,3-dimethyl-2-oxo-2,3-dihydrobenzofuran-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamideIvacaftor Carboxylic Acid LactoneN-(5-tert-butyl-3,3-dimethyl-2-oxo-1-benzofuran-6-yl)-4-oxo-1H-quinoline-3-carboxamideN-(5-tert-Butyl-3,3-dimethyl-2-oxo-2,3-dihydro-1-benzofuran-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamideWVXNTZZDMNDZHM-UHFFFAOYSA-NN-[5-(1,1-Dimethylethyl)-2,3-dihydro-3,3-dimethyl-2-oxo-6-benzofuranyl]-1,4-dihydro-4-oxo-3-quinolinecarboxamide; N-(5-(tert-Butyl)-3,3-dimethyl-2-oxo-2,3-dihydrobenzofuran-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide;SCHEMBL376599DTXSID50732344WZB21341N-(5-tert-butyl-3,3-dimethyl-2-oxo-2,3-dihydrobenzofuran-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamideSotuletinib Impurity2
이름 더 보기
N-[5-(1,1-Dimethylethyl)-2,3-dihydro-3,3-dimethyl-2-oxo-6-benzofuranyl]-1,4-dihydro-4-oxo-3-quinolinecarboxamide3-QuinolinecarboxaMide, N-[5-(1,1-diMethylethyl)-2,3-dihydro-3,3-diMethyl-2-oxo-6-benzofuranyl]-1,4-dihydro-4-oxo-
데이터베이스 식별자
- CAS
1246213-41-1- PubChem CID
- 59544159
- DTXSID
DTXSID50732344
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 84.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 779
물리화학적 성질
- 저장 조건
- 2 · 2-8°C
화학 및 산업
응용 분야
용도Ivacaftor Carboxylic Acid Lactone is related to Ivacaftor (I940600), which is used in the treatment of cystic fibrosis.
공급사6 곳
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
艾吉析科技(上海)有限公司17721401538;17717235263 17721401538 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
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