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109467-01-8 | 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-9-methyl-
CAS No: 109467-01-8 Catalog No: AG007AJS MDL No:
Product Description
Catalog Number:
AG007AJS
Chemical Name:
1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-9-methyl-
CAS Number:
109467-01-8
Molecular Formula:
C21H18N2O4
Molecular Weight:
362.3786
IUPAC Name:
19-ethyl-19-hydroxy-7-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
InChI:
InChI=1S/C21H18N2O4/c1-3-21(26)15-8-17-18-13(7-12-6-11(2)4-5-16(12)22-18)9-23(17)19(24)14(15)10-27-20(21)25/h4-8,26H,3,9-10H2,1-2H3
InChI Key:
FREMMFBXXMQTKV-UHFFFAOYSA-N
SMILES:
CCC1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4cc3Cn1c2=O)C
NSC Number:
609960
Properties
Complexity:
772
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.127g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.385g/mol
Monoisotopic Mass:
362.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Plant antitumor agents. 30. Synthesis and structure activity of novel camptothecin analogs. | Journal of medicinal chemistry 19930903 |
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