기본 정보
- CAS
143490-54-4- 표준 SMILES
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC3(O)CC- InChIKey
HJJHCRZQVMWZSJ-UHFFFAOYSA-N- 분자식
- C32H38N4O5
- 평균 분자량
- 558.7 g/mol
이름 및 식별자
- 우선 이름
- 3,10-Diethyl-3-hydroxy-13-oxo-1,3,11,13-tetrahydrofuro[3',4':6,7]indolizino[1,2-b]quinolin-8-yl [1,4'-bipiperidine]-1'-carboxylate
- IUPAC
- (5,13-diethyl-5-hydroxy-9-oxo-6-oxa-10,20-diazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),12,14(19),15,17-heptaen-16-yl) 4-piperidin-1-ylpiperidine-1-carboxylate
- 영어명
- Irinotecan Furan ring impurity
- 분자식
- C32H38N4O5
- 분자량
- 558.67
이름 및 동의어
143490-54-4(5,13-Diethyl-5-hydroxy-9-oxo-6-oxa-10,20-diazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),12,14(19),15,17-heptaen-16-yl) 4-piperidin-1-ylpiperidine-1-carboxylate3,10-Diethyl-3-hydroxy-13-oxo-1,3,11,13-tetrahydrofuro[3',4':6,7]indolizino[1,2-b]quinolin-8-yl [1,4'-bipiperidine]-1'-carboxylateIrinotecan Impurity 42SCHEMBL12356493CS-01640923,10-Diethyl-11,13-dihydro-3-hydroxy-13-oxo-1H,3H-furo[3',4':6,7]indolizino[1,2-b]quinolin-8-yl Ester [1,4'-Bipiperidine]-1'-carboxylic Acid3,10-diethyl-3-hydroxy-13-oxo-1,3,11,13-tetrahydrofuro[3',4':6,7]indolizino[1,2-b]quinolin-8-yl [1,4'-bipiperidine]-1'-carboxylate? (Irinotecan Impurity pound(c)3,10-Diethyl-3-hydroxy-13-oxo-1,3,11,13-tetrahydrofuro[3',4':6,7]indolizino[1,2-b]quinolin-8-yl[1,4'-bipiperidine]-1'-carboxylateIrinotecan Impurity 373,10-diethyl-3-hydroxy-13Irinotecan Furan ring impurity
이름 더 보기
Irinotecan Descarbonyl Impurity[1,4'-Bipiperidine]-1'-carboxylic acid, 3,10-diethyl-11,13-dihydro-3-hydroxy-13-oxo-1H,3H-furo[3',4':6,7]indolizino[1,2-b]quinolin-8-yl ester
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 95.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 1,110
물리화학적 성질
- 끓는 점
- 825.3 · 825.3±65.0 °C(Predicted)
- 밀도
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.26 · 11.26±0.20(Predicted)
화학 및 산업
응용 분야
용도Irinotecan Descarbonyl Impurity is used for the photodegradation of Irinotecan (CPT-11) in aqueous solutions towards the identification of fluorescent products. It is also prepared as an antitumor agent.
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