Analyte Name

PHA-665752-d8 Hydrate

Molecular Formula

C32H26D8Cl2N4O4S • xH2O

Molecular Weight

667.68

Accurate Mass

667.23

SMILES

O=S(C1=CC=C(C/2=C1)NC(C2=C/C3=C(C(C(N4[C@H](CCC4)CN5C([2H])(C([2H])(C([2H])(C5([2H])[2H])[2H])[2H])[2H])=O)=C(N3)C)C)=O)(CC6=C(C=CC=C6Cl)Cl)=O.O

InChI

InChI=1S/C32H34Cl2N4O4S.H2O/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34;/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39);1H2/b24-16-;/t21-;/m1./s1/i3D2,4D2,12D2,13D2;

IUPAC

(R,Z)-5-((2,6-dichlorobenzyl)sulfonyl)-3-((3,5-dimethyl-4-(2-((pyrrolidin-1-yl-d8)methyl)pyrrolidine-1-carbonyl)-1H-pyrrol-2-yl)methylene)indolin-2-one hydrate

Unlabelled CAS Number

Anhydrous - 477575-56-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat