(R)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate
기본 정보
- CAS
1255644-71-3- 표준 SMILES
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(O)CC- InChIKey
UWKQSNNFCGGAFS-MGBGTMOVSA-N- 분자식
- C33H38N4O6
- 평균 분자량
- 586.7 g/mol
개요
(R)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate is a pyranoindolizinoquinoline.
이름 및 식별자
- 우선 이름
- (R)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate
- IUPAC
- [(19R)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate
- 영어명
- Irinotecan Impurity 18
- 분자식
- C33H38N4O6
- 분자량
- 586.68
이름 및 동의어
1255644-71-3Irinotecan EP Impurity L(R)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate[(19R)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylateSCHEMBL19534323CHEBI:182872HMS3651A05SW220163-1BRD-K72035773-001-01-7(R)-IrinotecanIrinotecan Impurity 18(4R)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3'',4'':6,7]indolizino[1,2-b]quinolin-9-yl 1,4''-bipiperidine-1''-carboxylate
이름 더 보기
[1,4'-Bipiperidine]-1'-carboxylic acid, (4R)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,200
물리화학적 성질
- 끓는 점
- 873.4 · 873.4±65.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.2 · 11.20±0.20(Predicted)
- InChIKey
- UWKQSNNFCGGAFS-MGBGTMOVSA-N
- SMILES
- N1(C2CCN(C(OC3=CC=C4C(=C3)C(CC)=C3CN5C(C3=N4)=CC3[C@@](CC)(O)C(=O)OCC=3C5=O)=O)CC2)CCCCC1
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