Sulfamethoxazole-[ring-13C6]

General Information
Catalog: BLP-009103
CAS: 1196157-90-0
Molecular Formula: C4[13C]6H11N3O3S
Molecular Weight: 259.23
Related CAS: 723-46-6 (unlabelled)
Description An isotope labelled Sulfamethoxazole. Sulfamethoxazole is an antibiotic and a structural analog of para-aminobenzoic acid (PABA). It competes with PABA to bind to dihydropteroate synthetase to inhibit the synthesis of dihydrofolic acid.
Synonyms 4-Amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide-13C6; 3-(p-Aminobenzenesulfonamido)-5-methylisoxazole; Sulfamethoxazole-13C6; 3-Sulfanilamido-5-methylisoxazole-13C6; 5-Methyl-3-sulfanilamidoisoxazole-13C6; Radonil-13C6; Ro 4-2130-13C6; Sinomin-13C6
IUPAC Name 4-amino-N-(5-methyl-1,2-oxazol-3-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
Canonical SMILES CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)/i2+1,3+1,4+1,5+1,8+1,9+1
InChI Key JLKIGFTWXXRPMT-AHBHZWPESA-N
Melting Point 167-169°C
Purity 95% by HPLC; 98% atom 13C
Solubility Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance White to Off-white Solid

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