Analyte Name

Temsavir-D5

CAS Number

1352806-42-8

Molecular Formula

C24 D5 H18 N7 O4

Molecular Weight

478.515

Accurate Mass

478.213

SMILES

[2H]c1c([2H])c([2H])c(C(=O)N2CCN(CC2)C(=O)C(=O)c3c[nH]c4c(ncc(OC)c34)n5cnc(C)n5)c([2H])c1[2H]

InChI

InChI=1S/C24H23N7O4/c1-15-27-14-31(28-15)22-20-19(18(35-2)13-26-22)17(12-25-20)21(32)24(34)30-10-8-29(9-11-30)23(33)16-6-4-3-5-7-16/h3-7,12-14,25H,8-11H2,1-2H3/i3D,4D,5D,6D,7D

IUPAC

1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(2,3,4,5,6-pentadeuteriobenzoyl)piperazin-1-yl]ethane-1,2-dione

Unlabelled CAS Number

701213-36-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat