Orotic Acid-13C,15N2 Monohydrate

Analyte Name

Orotic Acid-13C, 15N2 Monohydrate

CAS Number

1346602-15-0

Molecular Formula

13C C4 H4 15N2 O4 . H2 O

Molecular Weight

177.09

Accurate Mass

177.0251

SMILES

O.OC(=O)C1=CC(=O)[15NH][13C](=O)[15NH]1

InChI

InChI=1S/C5H4N2O4.H2O/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);1H2/i5+1,6+1,7+1;

IUPAC

2,4-dioxo-(2^{13}C,1,3-^{15}N_{2})1H-pyrimidine-6-carboxylic acid;hydrate

Unlabelled CAS Number

50887-69-9

SIL Type

Nitrogen, Carbon

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)