基本情報
- 標準SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=O- InChIKey
XKIDBQHJMYSFPX-NRFANRHFSA-N- 分子式
- C21H16N2O5
- 平均分子量
- 376.4 g/mol
- 単同位体質量
- 376.10592161
名称と識別子
- 優先名称
- 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-11-carboxaldehyde, 4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-, (S)-
- IUPAC
- (19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-10-carbaldehyde
- 英語名
- (S)-11-ForMy-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a -diaza-dibenzo[b,h]fluorene-3,13-dione
- 分子式
- C21H16N2O5
- 分子量
- 376.36214
名称と別名
80758-83-4(S)-11-Formyl-4-ethyl-4-hydroxy-1,12-dihydro-4h-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione(19S)-19-Ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-10-carbaldehyde1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-11-carboxaldehyde, 4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-, (S)-7-formylcamptothecin(S)-11-Formy-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dioneIrinotecan Impurity 9SCHEMBL399147CHEMBL129349SCHEMBL31142446DTXSID20230600XKIDBQHJMYSFPX-NRFANRHFSA-N
名称をさらに表示
Irinotecan Impurity 45(S)-11-ForMy-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a -diaza-dibenzo[b,h]fluorene-3,13-dione(S)-4-ethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-11-carbaldehyde1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-11-carboxaldehyde, 4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-, (4S)-
MFCD19441970(S)-4-Ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-11-carboxaldehydeBS-44344G11325(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0(2),(1)(1).0,.0(1),(2)]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-10-carbaldehyde(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0,.0,.0,henicosa-1(21),2,4,6,8,10,15(20)-heptaene-10-carbaldehyde(4S)-4-Ethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-11-carbaldehyde
データベース識別子
- CAS
80758-83-4- PubChem CID
- 149876
- DTXSID
DTXSID20230600- ChEMBL
CHEMBL129349- Nikkaji
- J436.715D
物性
構造計算による物性
- XLogP
- 0.4
- 極性表面積
- 96.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 2
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 818
化学と産業
サプライヤー5 社
济南百隆化学有限公司[email protected] · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
関連反応
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関連ノート
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