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Home > Indoles and Oxindole > 86688-39-3
86688-39-3 | 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-12-methyl-
CAS No: 86688-39-3 Catalog No: AG01DNAA MDL No:MFCD28124374
Product Description
Catalog Number:
AG01DNAA
Chemical Name:
1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-12-methyl-
CAS Number:
86688-39-3
MDL Number:
MFCD28124374
IUPAC Name:
(19S)-19-ethyl-19-hydroxy-12-methyl-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-14,18-dione
InChI:
InChI=1S/C21H18N2O4/c1-3-21(26)15-9-17-18-13(8-12-6-4-5-7-16(12)22-18)11(2)23(17)19(24)14(15)10-27-20(21)25/h4-9,11,26H,3,10H2,1-2H3/t11?,21-/m0/s1
InChI Key:
OYRWIKAZKQTRNP-CLPBESLVSA-N
Properties
Complexity:
772
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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 |
|---|---|
| Semisynthesis, biological activity, and molecular modeling studies of C-ring-modified camptothecins. | Journal of medicinal chemistry 20090226 |
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