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

HCID 3750
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기본 정보

표준 SMILES
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC
InChIKey
UWKQSNNFCGGAFS-UHFFFAOYSA-N
분자식
C33H38N4O6
평균 분자량
586.7 g/mol
단동위원소 질량
586.27913494

개요

LSM-4269 is a pyranoindolizinoquinoline.

이름 및 식별자

우선 이름
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
(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

이름 및 동의어

DTXSID808611514,11-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'-carboxylate4,11-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'-carboxylateRefChem:1069207DTXCID70197118s1198(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-carboxylate4,11-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'-carboxylateIrinotecan (CPT-11)CHEMBL10456SCHEMBL12313065SCHEMBL13420262
이름 더 보기
CHEBI:93762HMS5086K10(S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3 inverted exclamation mark ,4 inverted exclamation mark :6,7]indolizino[1,2-b]quinolin-9-yl [1,4 inverted exclamation mark -bipiperidine]-1 inverted exclamation mark -carboxylateLSM-4269AKOS037483529NCGC00167833-01Q271654529H-Xanthene-3-carboxylic acid,7-ethoxy-9-oxo; 7-ethoxyxanthone-3-carboxylic acid;

데이터베이스 식별자

PubChem CID
3750
DTXSID
DTXSID80861151
ChEMBL
CHEMBL10456
ChEBI
CHEBI:93762
Nikkaji
J360.577I

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

실험 및 물리화학적 성질

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