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87936-14-9 | 3,7-DIHYDROXY-2,2,10-TRIMETHYL-2,3,4,10-TETRAHYDRO-5H-PYRANO[2,3-B]QUINOLIN-5-ONE
CAS No: 87936-14-9 Catalog No: AG004GSI MDL No:
Product Description
Catalog Number:
AG004GSI
Chemical Name:
3,7-DIHYDROXY-2,2,10-TRIMETHYL-2,3,4,10-TETRAHYDRO-5H-PYRANO[2,3-B]QUINOLIN-5-ONE
CAS Number:
87936-14-9
Molecular Formula:
C15H17NO4
Molecular Weight:
275.2998
IUPAC Name:
3,7-dihydroxy-2,2,10-trimethyl-3,4-dihydropyrano[2,3-b]quinolin-5-one
InChI:
InChI=1S/C15H17NO4/c1-15(2)12(18)7-10-13(19)9-6-8(17)4-5-11(9)16(3)14(10)20-15/h4-6,12,17-18H,7H2,1-3H3
InChI Key:
FQIQQNIQIRUWGC-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(=O)c1c(n2C)OC(C(C1)O)(C)C
NSC Number:
350080
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.304g/mol
Monoisotopic Mass:
275.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Angular methoxy-substituted furo- and pyranoquinolinones as blockers of the voltage-gated potassium channel Kv1.3. | Journal of medicinal chemistry 20010412 |
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