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4-Aminobiphenyl-d5 Beta-D-Glucuronide Sodium Salt

Product Code

TRC-A601792

Product Format

Neat

Molecular Formula

C18H13D5NNaO6

Molecular Weight

372.36

Product Categories

TRC, Stable isotopes

Unlabelled CAS Number

Salt: 116490-30-3

Price and availability

48-hour USA dispatch time
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Product Information

Chemical Data

Analyte Name

4-Aminobiphenyl-d5 beta-D-Glucuronide Sodium Salt

Molecular Formula

C18H13D5NNaO6

Molecular Weight

372.36

Accurate Mass

372.13

SMILES

O[C@@H]([C@H](O)[C@H]1O)[C@@H](C(O[Na])=O)O[C@H]1NC(C=C2)=CC=C2C3=C([2H])C([2H])=C([2H])C([2H])=C3[2H]

InChI

InChI=1S/C18H19NO6.Na/c20-13-14(21)16(18(23)24)25-17(15(13)22)19-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9,13-17,19-22H,(H,23,24);/q;+1/p-1/t13-,14-,15+,16-,17+;/m0./s1/i1D,2D,3D,4D,5D;

IUPAC

sodium (2S,3S,4S,5R,6R)-6-(([1,1'-biphenyl]-4-yl-2',3',4',5',6'-d5)amino)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate

Unlabelled CAS Number

Salt: 116490-30-3

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

A labelled metabolite of 4-Aminobiphenyl (4-ABP).

References: Green, M., et al.: Cancer Res., 47, 2028 (1987),

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