Name: Zafirlukast p-Tolyl Isomer-[d7]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-013848

CAS: 1794886-13-7

Molecular Formula: C31H26D7N3O6S

Molecular Weight: 582.72

Chemical Structure

Description	Zafirlukast p-Tolyl Isomer-[d7] is the labelled analogue of Zafirlukast p-Tolyl Isomer, which is a positional isomer and impurity of the cysteinyl leukotriene type 1 receptor antagonist, Zafirlukast.
Synonyms	Zafirlukast p-Tolyl Isomer-d7; N-[3-[[2-Methoxy-4-[[[(4-methylphenyl-d7)sulfonyl]amino]carbonyl]phenyl]methyl]-1-methyl-1H-indol-5-yl]carbamic Acid Cyclopentyl Ester; Zafirlukast Related Compound E-d7; Cyclopentyl 3-[2-Methoxy-4-[p-(tolyl-d7)sulfonylcarbamoyl)benzyl]-1-methylindol-5-ylcarbamate
IUPAC Name	cyclopentyl N-[3-[[2-methoxy-4-[[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
Related CAS	1159195-70-6 (unlabelled)
Canonical SMILES	CC1=CC=C(C=C1)S(=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/c1-20-8-13-26(14-9-20)41(37,38)33-30(35)22-11-10-21(29(17-22)39-3)16-23-19-34(2)28-15-12-24(18-27(23)28)32-31(36)40-25-6-4-5-7-25/h8-15,17-19,25H,4-7,16H2,1-3H3,(H,32,36)(H,33,35)/i1D3,8D,9D,13D,14D
InChI Key	HOOQJZTUMKGZMP-SHUQPANYSA-N
Purity	≥98%
Solubility	Soluble in DMSO (Sparingly), Methanol (Slightly)
Appearance	Pale Beige Solid
Storage	Store at -20°C