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

HCID 150280

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Basic information

CAS: 89808-79-7
Standard SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCCCCC(=O)OC
InChIKey: JHYVXIJVCYYUFS-MHZLTWQESA-N
Molecular formula: C27H28N2O6
Average molar mass: 476.5 g/mol
Monoisotopic mass: 476.19473662

Names & identifiers

Preferred 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
IUPAC: methyl 6-[(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)-heptaen-10-yl]hexanoate

Names & synonyms

89808-79-7Camptothecin-11-hexanoic acid methyl esterMethyl (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-hexanoateDTXSID4010089841H-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 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)hexanoatemethyl 6-[(4S)-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

Database identifiers

CAS: 89808-79-7
PubChem CID: 150280
DTXSID: DTXSID401008984

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 106 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 35
Formal charge: 0
Complexity: 957

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