benzo(a)pyrene-3-O-glucuronide
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benzo(a)pyrene-3-O-glucuronide
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CAS No:
60262-81-9
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Formula:
C26H20O7
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Chemical Name:
benzo(a)pyrene-3-O-glucuronide
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Synonyms:
3-benzo(a)pyrenyl beta-glucopyranosiduronic acid;benzo(a)pyren-3-yl beta-D-glucopyranosiduronic acid;benzo(a)pyrene-3-O-glucuronide;Bp-3-g;Benzo[a]pyren-3-yl beta-D-glucopyranosiduronic acid;DTXSID60209012
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CAS No:
benzo(a)pyrene-3-O-glucuronide Use and Manufacturing
3-Hydroxy Benzopyrene O-β-D-glucuronide is the glucuronide conjugate and metabolite of the carcinogen Benzopyrene (B205800).
Computed Properties
Molecular Weight:444.4
XLogP3:4.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:444.12090297
Monoisotopic Mass:444.12090297
Topological Polar Surface Area:116
Heavy Atom Count:33
Complexity:744
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes