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Sulfadimidin-[13C6] Hemihydrate

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General Information
Catalog: BLP-004277
CAS: 1196157-77-3
Molecular Formula: C6[13C]6H14N4O2S.1/2H2O
Molecular Weight: 293.29

Chemical Structure

Description	Sulfadimidin-[13C6] Hemihydrate is a labelled analog of Sulfadimidin.
Synonyms	4-Amino-N-(4,6-dimethyl-2-pyrimidinyl)benzene-13C6-sulfonamide, Sulfadimidine-phenyl-13C6; 4-amino-N-(4,6-dimethylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)benzene-1-sulfonamide hydrate
IUPAC Name	4-amino-N-(4,6-dimethylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide;hydrate
Canonical SMILES	CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C.CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C.O
InChI	InChI=1S/2C12H14N4O2S.H2O/c21-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;/h23-7H,13H2,1-2H3,(H,14,15,16);1H2/i2*3+1,4+1,5+1,6+1,10+1,11+1;
InChI Key	CHRKVTCTLYZLPH-CYJMKBDOSA-N
Purity	>99%