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Orotic Acid-15N2 Monohydrate

Catalog Number ACM1346602150-1
CAS 1346602-15-0
Structure Structure
Synonyms 1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidine-2-13C-1,3-15N2-carboxylic acid monohydrate, Orotic acid-13C,15N2 monohydrate, Orotic acid-2-13C,1,3-15N2 monohydrate, 2,4-Dioxo-1H-pyrimidine-2-13C-1,3-15N2-6-carboxylic acid monohydrate, 2,4-Dihydroxypyrimidine-2-13C-1,3-15N2-6-carboxylic acid monohydrate
IUPAC Name 2,4-dioxo-(2^{13}C,1,3-^{15}N_{2})1H-pyrimidine-6-carboxylic acid;hydrate
Molecular Weight 177.09
Molecular Formula 13CC4H415N2O4·H2O
Canonical 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;
Storage +4 °C
Accurate Mass 177.0251
API Family Orotic acid
Format Neat
Shipping Temperature Room temperature
SIL Type Nitrogen, Carbon
Unlabeled CAS 50887-69-9
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