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85878-63-3 | pyrido(3,4-c)-7-methylpsoralen
CAS No: 85878-63-3 Catalog No: AG00GL3R MDL No:
Product Description
Catalog Number:
AG00GL3R
Chemical Name:
pyrido(3,4-c)-7-methylpsoralen
CAS Number:
85878-63-3
IUPAC Name:
11-methyl-9,13-dioxa-5-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,14,16-heptaen-8-one
InChI:
InChI=1S/C15H9NO3/c1-8-13-9(3-5-18-13)6-11-10-2-4-16-7-12(10)15(17)19-14(8)11/h2-7H,1H3
InChI Key:
HUAHUHGFYQDAJK-UHFFFAOYSA-N
UNII:
8E3GP5CCH4
NSC Number:
376770
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.241g/mol
Monoisotopic Mass:
251.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| The human oxidative DNA glycosylase NEIL1 excises psoralen-induced interstrand DNA cross-links in a three-stranded DNA structure. | The Journal of biological chemistry 20090501 |
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