Sulfamethoxazole N4-glucoside

Base Information

• Chemical Name: Sulfamethoxazole N4-glucoside
• CAS No.: 119691-75-7
• Molecular Weight: 415.42
• Hs Code.: 2935909550
• European Community (EC) Number: 808-892-0
• DSSTox Substance ID: DTXSID701152639
• Wikidata: Q76415477
• Mol file: 119691-75-7.mol

Synonyms:Sulfamethoxazole N4-glucoside;119691-75-7;N-(5-methyl-1,2-oxazol-3-yl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]benzenesulfonamide;AKDUCXZSJFIYSD-YMILTQATSA-N;DTXSID701152639;Sulfamethoxazole N4-beta-D-Glucoside;Sulfamethoxazole N4-glucoside (alpha/beta mixture);J-004176;4-(beta-D-Glucopyranosylamino)-N-(5-methyl-3-isoxazolyl)benzenesulfonamide;4-(D-Glucopyranosylamino)-N-(5-methyl-3-isoxazolyl)-benzenesulfonamide;Sulfamethoxazole N4-glucoside, 4-(?-D-glucopyranosylamino)-N-(5-methyl-3-isoxazolyl)-benzenesulfonamide

Chemical Property of Sulfamethoxazole N4-glucoside

Chemical Property:

• XLogP3: -0.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 415.10493581
• Heavy Atom Count: 28
• Complexity: 610

Purity/Quality:

98%Min ^*data from raw suppliers

SulfamethoxazoleN4-glucoside(alpha/betamixture) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 42/43
• Safety Statements: 36/37

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3C(C(C(C(O3)CO)O)O)O
• Isomeric SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
• Uses: Sulfamethoxazole N4-glucoside is a metabolite of Sulfamethoxazole (S699086) which is an anti bacterial drug. Sulfonamide antibiotic that blocks the synthesis of dihydrofolic acid by inhibiting the enzyme dihydropteroate synthase.