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63148-10-7 | benzo(a)pyrene-3,6-quinol
CAS No: 63148-10-7 Catalog No: AG00EOFU MDL No:
Product Description
Catalog Number:
AG00EOFU
Chemical Name:
benzo(a)pyrene-3,6-quinol
CAS Number:
63148-10-7
IUPAC Name:
benzo[a]pyrene-3,6-diol
InChI:
InChI=1S/C20H12O2/c21-17-10-6-11-5-7-13-12-3-1-2-4-14(12)20(22)16-9-8-15(17)18(11)19(13)16/h1-10,21-22H
InChI Key:
MNYTULBCYDHGOF-UHFFFAOYSA-N
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.314g/mol
Monoisotopic Mass:
284.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Cloning and comparative analyses of the zebrafish Ugt repertoire reveal its evolutionary diversity. | PloS one 20100101 |
| NRH:quinone oxidoreductase 2 (NQO2) catalyzes metabolic activation of quinones and anti-tumor drugs. | Biochemical pharmacology 20060728 |
| Formation of mono- and diglucuronides and other glycosides of benzo(a)pyrene-3,6-quinol by V79 cell-expressed human phenol UDP-glucuronosyltransferases of the UGT1 gene complex. | Biochemical pharmacology 19950526 |
| Mono- and diglucuronide formation from chrysene and benzo(a)pyrene phenols by 3-methylcholanthrene-inducible phenol UDP-glucuronosyltransferase (UGT1A1). | Molecular pharmacology 19921001 |
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