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3-Hydroxy Benzopyrene-[d11]

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General Information
Catalog: BLP-012974
CAS: 1246819-35-1
Molecular Formula: C20HD11O
Molecular Weight: 279.38

Chemical Structure

Description	3-Hydroxy Benzopyrene-[d11] 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 Benzopyrene-d11; Benzo[a]pyren-3-ol-d11; 3-Hydroxy-3,4-benzo[a]pyrene-d11; 3-Hydroxybenzo[a]pyrene-d11
IUPAC Name	1,2,4,5,6,7,8,9,10,11,12-undecadeuteriobenzo[a]pyren-3-ol
Related CAS	13345-21-6 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C2C3=C4C(=C(C2=C1[2H])[2H])C(=C(C5=C(C(=C(C(=C54)C(=C3[2H])[2H])[2H])[2H])O)[2H])[2H])[2H])[2H]
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/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D
InChI Key	SPUUWWRWIAEPDB-LFFOKYCESA-N
Melting Point	182-192°C
Purity	≥98% by HPLC; ≥97% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	Yellow to Brown Solid
Storage	Store at 2-8°C