Product Code
TRC-H952752
CAS Number
Product Format
Neat
Molecular Formula
C22H9D9O7
Molecular Weight
403.43
Product Categories
TRC, Metabolites, Stable isotopes, Stable Isotope Labelled Analytical Standards
Product Type
Stable Isotope LabelledUnlabelled CAS Number
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Analyte Name
1-Hydroxypyrene-d9 b-D-Glucuronide
CAS Number
2079923-77-4
Molecular Formula
C22H9D9O7
Molecular Weight
403.43
Accurate Mass
403.16
SMILES
O[C@H]([C@@H](C(O)=O)O[C@@H](OC1=C([2H])C([2H])=C(C2=C1C([2H])=C3[2H])C([2H])=C([2H])C4=C2C3=C([2H])C([2H])=C4[2H])[C@@H]5O)[C@@H]5O
InChI
InChI=1S/C22H18O7/c23-17-18(24)20(21(26)27)29-22(19(17)25)28-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17-20,22-25H,(H,26,27)/t17-,18-,19+,20-,22+/m0/s1/i1D,2D,3D,4D,5D,6D,7D,8D,9D
IUPAC
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((pyren-1-yl-d9)oxy)tetrahydro-2H-pyran-2-carboxylic acid
Unlabelled CAS Number
154717-05-2
SIL Type
Deuterium
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
A labelled metabolite of 1-Hydroxypyrene, which is found in human urine after exposure to coal tar and a coal derived product.
References: Jongeneelen, F.J., et al.: Int. Arch. Occup. Environ. Health, 57, 47 (1985)
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