Methyl (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-hexanoate

Base Information

• Chemical Name: Methyl (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-hexanoate
• CAS No.: 89808-79-7
• Molecular Formula: C27H28 N2 O6
• Molecular Weight: 476.521
• DSSTox Substance ID: DTXSID401008984
• Wikidata: Q83005638

Synonyms:89808-79-7;Camptothecin-11-hexanoic acid methyl ester;DTXSID401008984;1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-11-hexanoic acid, 4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-, methyl ester, (S)-;Methyl (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-hexanoate;Methyl 6-(4-ethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-11-yl)hexanoate

Chemical Property of Methyl (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-hexanoate

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 476.19473662
• Heavy Atom Count: 35
• Complexity: 957

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MSDS Files:

Useful:

• Canonical SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CCCCCC(=O)OC)O
• Isomeric SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CCCCCC(=O)OC)O

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