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3-Hydroxy Benzopyrene-[13C6]

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General Information
Catalog: BLP-002729
Molecular Formula: C14[13C]6H12O
Molecular Weight: 274.26

Chemical Structure

Description	3-Hydroxy Benzopyrene-[13C6] is the labelled analogue of 3-Hydroxy Benzopyrene, which is a metabolite of Benzopyrene. Benzopyrene is a carcinogenic component of tobacco smoke implicated in lung cancer.
Synonyms	3-Hydroxy Benzo (a) Pyrene-13C6
IUPAC Name	benzo[pqr]tetraphen-3-ol-4,5,5a,6,6a,10a-13C6
Related CAS	13345-21-6 (unlabelled)
Canonical SMILES	C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C(C=CC(=C54)C=C3)O
InChI	InChI=1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H/i6+1,9+1,11+1,13+1,14+1,15+1
InChI Key	SPUUWWRWIAEPDB-NWXONPMJSA-N