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

部分構造検索類似構造を探す

基本情報

標準SMILES: CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC
InChIKey: UWKQSNNFCGGAFS-UHFFFAOYSA-N
分子式: C33H38N4O6
平均分子量: 586.7 g/mol
単同位体質量: 586.27913494

概要

LSM-4269 is a pyranoindolizinoquinoline.

名称と識別子

優先名称: 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

名称と別名

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

名称をさらに表示

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;

データベース識別子

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

物性

構造計算による物性

XLogP: 3
極性表面積: 113 Å²
水素結合供与体数: 1
水素結合受容体数: 8
回転可能結合数: 5
重原子数: 43
形式電荷: 0
複雑度: 1,200

実験および物理化学的性質

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