Product Code

TRC-A662500

CAS Number

116866-42-3

Product Format

Neat

Molecular Formula

C12 H14 N O6 . Na

Molecular Weight

291.23

API Family

Aniline

Product Categories

TRC, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials

Product Type

Metabolite

Alternate CAS Number

704205-80-1; β-isomer: 92117-30-1

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Aniline D-Glucuronide Sodium Salt

CAS Number

116866-42-3

Molecular Formula

C12 H14 N O6 . Na

Molecular Weight

291.23

Accurate Mass

291.0719

SMILES

O[C@@H]1[C@@H](O)C(Nc2ccccc2)O[C@@H]([C@H]1O)C(=O)O[Na]

InChI

InChI=1S/C12H15NO6.Na/c14-7-8(15)10(12(17)18)19-11(9(7)16)13-6-4-2-1-3-5-6;/h1-5,7-11,13-16H,(H,17,18);/q;+1/p-1/t7-,8-,9+,10-,11?;/m0./s1

IUPAC

[(2S,3S,4S,5R)-6-anilino-3,4,5-trihydroxy-tetrahydropyran-2-carbonyl]oxysodium

Alternate CAS Number

704205-80-1; β-isomer: 92117-30-1

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Aniline

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Aniline D-Glucuronide Sodium Salt

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