基本情報
- CAS
172546-50-8- 標準SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2C)OCO3- InChIKey
BGMKTSYQDUAZFJ-QFIPXVFZSA-N- 分子式
- C22H18N2O6
- 平均分子量
- 406.4 g/mol
- 単同位体質量
- 406.1164863
名称と識別子
- 優先名称
- 10H-1,3-Dioxolo(4,5-g)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-8,11(7H,13H)-dione, 7-ethyl-7-hydroxy-14-methyl-, (7S)-
- IUPAC
- (5S)-5-ethyl-5-hydroxy-14-methyl-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione
名称と別名
IPF4CM7OZI172546-50-87-Methyl-10,11-methylenedioxy-20(S)-CPTUNII-IPF4CM7OZINSC67359410H-1,3-Dioxolo(4,5-g)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-8,11(7H,13H)-dione, 7-ethyl-7-hydroxy-14-methyl-, (7S)-NSC 673594NSC-673594(7S)-7-Ethyl-7-hydroxy-13-methyl-7,12-dihydro-2H-1,3-dioxolano(4,5-g)pyrano(3',4'-7,6)indolizino(1,2-b)quinoline-8,11-dione10H-1,3-Dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11(7H,13H)-dione, 7-ethyl-7-hydroxy-14-methyl-, (7S)-ethyl-hydroxy-methyl-[?]dioneSCHEMBL21450571
名称をさらに表示
DTXSID201693457-Methyl-10,11-methylenedioxy-20(S)-camptothecin(7S)-7-Ethyl-7-hydroxy-13-methyl-7,12-dihydro-2H--1,3-dioxolano[4,5-g]pyrano[3',4'-7,6]indolizino[1,2-b]quinoline-8,11-dione(7S)-7-Ethyl-7-hydroxy-14-methyl-2H,10H-[1,3]dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11(7H,13H)-dione
データベース識別子
- CAS
172546-50-8
物性
構造計算による物性
- XLogP
- 1.2
- 極性表面積
- 98.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 1
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 883
関連反応
0 件
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