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Orotic acid-[13C,15N2] hydrate

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General Information
Catalog: BLP-000783
CAS: 1346602-15-0
Molecular Formula: C4[13C]H4[15N]2O4.H2O
Molecular Weight: 177.09

Chemical Structure

Description	Orotic acid-[13C,15N2] hydrate is the labelled hydrate of Orotic Acid. Orotic Acid is used in the preparation of therapeutic agents for chronic obstructive pulmonary disease (COPD) treatment.
Synonyms	[13C,15N2]-Orotic acid hydrate; 1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic Acid-13C,15N2 Monohydrate; Orotic Acid-13C,15N2 Monohydrate; 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic-2-13C-1,3-15N2 acid hydrate
IUPAC Name	2,4-dioxo-(2-13C,1,3-15N2)1H-pyrimidine-6-carboxylic acid;hydrate
Related CAS	50887-69-9 (unlabelled)
Canonical SMILES	C1=C(NC(=O)NC1=O)C(=O)O.O
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;
InChI Key	YXUZGLGRBBHYFZ-RYBQTAQPSA-N
Melting Point	> 300 °C
Purity	98%
Solubility	Slightly soluble in DMSO
Storage	2-8 °C