Product Code

TRC-KIT6950-1ML

CAS Number

72209-10-0

Product Format

Single Solution

Matrix

Acetonitrile

Molecular Formula

C18H22N2O8

Molecular Weight

394.38

API Family

Phenobarbital Sodium

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials

Product Type

Bioactive Small Molecule

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Phenobarbital N-beta-D-Glucoside

CAS Number

72209-10-0

Molecular Formula

C18H22N2O8

Molecular Weight

394.38

Measured Value

1.0 mg/mL

Accurate Mass

394.1376

SMILES

CCC1(C(=O)NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O)c3ccccc3

InChI

InChI=1S/C18H22N2O8/c1-2-18(9-6-4-3-5-7-9)15(25)19-17(27)20(16(18)26)14-13(24)12(23)11(22)10(8-21)28-14/h3-7,10-14,21-24H,2,8H2,1H3,(H,19,25,27)/t10-,11-,12+,13-,14-,18?/m1/s1

IUPAC

5-ethyl-5-phenyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2,4,6-trione

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile

API Family

Phenobarbital Sodium

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Phenobarbital N-beta-D-Glucoside (1 mg/ml in Acetonitrile)

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