Analyte Name

Zafirlukast Impurity D-d7

Molecular Formula

C46 D7 H42 N5 O8 S

Molecular Weight

839.018

Accurate Mass

838.374

SMILES

[2H]c1c([2H])c([2H])c(c(c1[2H])C([2H])([2H])[2H])S(=O)(=O)NC(=O)c2ccc(C(c3cn(C)c4ccc(NC(=O)OC5CCCC5)cc34)c6cn(C)c7ccc(NC(=O)OC8CCCC8)cc67)c(OC)c2

InChI

InChI=1S/C46H49N5O8S/c1-28-11-5-10-16-42(28)60(55,56)49-44(52)29-17-20-34(41(23-29)57-4)43(37-26-50(2)39-21-18-30(24-35(37)39)47-45(53)58-32-12-6-7-13-32)38-27-51(3)40-22-19-31(25-36(38)40)48-46(54)59-33-14-8-9-15-33/h5,10-11,16-27,32-33,43H,6-9,12-15H2,1-4H3,(H,47,53)(H,48,54)(H,49,52)/i1D3,5D,10D,11D,16D

IUPAC

cyclopentyl N-[3-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]-[2-methoxy-4-[[2,3,4,5-tetradeuterio-6-(trideuteriomethyl)phenyl]sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate

Unlabelled CAS Number

1160235-24-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat