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104155-88-6 | 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-8,9-dimethoxy-
CAS No: 104155-88-6 Catalog No: AG007EMK MDL No:
Product Description
Catalog Number:
AG007EMK
Chemical Name:
1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-8,9-dimethoxy-
CAS Number:
104155-88-6
Molecular Formula:
C22H20N2O6
Molecular Weight:
408.4040
IUPAC Name:
19-ethyl-19-hydroxy-6,7-dimethoxy-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/C22H20N2O6/c1-4-22(27)14-7-16-19-12(9-24(16)20(25)13(14)10-30-21(22)26)5-11-6-17(28-2)18(29-3)8-15(11)23-19/h5-8,27H,4,9-10H2,1-3H3
InChI Key:
IYAQFMAQDYIFSH-UHFFFAOYSA-N
SMILES:
CCC1(O)C(=O)OCc2c1cc1c3nc4cc(OC)c(cc4cc3Cn1c2=O)OC
NSC Number:
328410
Properties
Complexity:
838
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.132g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
408.41g/mol
Monoisotopic Mass:
408.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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