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General Information
Catalog: BLP-008189
CAS: 1217174-18-9
Molecular Formula: C31H26D7N3O6S
Molecular Weight: 582.73
Chemical Structure
Description One of the isotopic lebelled form of Zafirlucast, which has been found to be a cysteinyl leukotriene type 1 receptor antagonist and could be as an antiasthmatic agent.
Synonyms [3-[[2-Methoxy-4-[[[(2-methylphenyl-d7)sulfonyl]amino]carbonyl]phenyl]methyl]-1-methyl-1H-indol-5-yl]carbamic Acid Cyclopentyl Ester
IUPAC Name cyclopentyl N-[3-[[2-methoxy-4-[[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
Related CAS 107753-78-6 (unlabelled)
Canonical SMILES CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OC
InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)/i1D3,4D,7D,8D,11D
Melting Point >104°C (dec.)
Purity >98%
Solubility Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance Pale Pink to Light Orange Solid
Storage Store at -20°C

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