Saccharin N-(2-acetic acid isopropyl ester)

CAS: 76508-37-7

Ref. 3D-IS27777

Product Information

• Name: Saccharin N-(2-acetic acid isopropyl ester)
• Synonyms: 3-Oxo-1,2-benzisothiazole-2(3H)-acetic acid 1-methylethyl ester 1,1-dioxidePiroxicam impurity F
• Brand: Biosynth
• Description: Saccharin is a drug product that consists of saccharin N-isopropyl ester and an impurity standard. Saccharin is a synthetic sweetener that is found in the leaves of the herbaceous perennial S. dulcis, which has been used as a natural sweetener for centuries. Saccharin can be metabolized by humans to form 2-acetic acid and 4-methyl-1,2,3-thiadiazole (MTT) as a byproduct. The metabolite MTT may cause cancer in animals, but this has not been confirmed in humans. The pharmacopoeia specifies the purity of saccharin as 98% or greater. Metabolite standards are also provided for research purposes.

Chemical properties

• Molecular weight: 283.3 g/mol
• Formula: C₁₂H₁₃NO₅S
• Purity: Min. 95%
• InChI: InChI=1S/C12H13NO5S/c1-8(2)18-11(14)7-13-12(15)9-5-3-4-6-10(9)19(13,16)17/h3-6,8H,7H2,1-2H3
• InChI key: InChIKey=FULJHFVTOIYTGS-UHFFFAOYSA-N
• SMILES: CC(C)OC(=O)CN1C(=O)c2ccccc2S1(=O)=O