Analyte Name

Elacestrant-d5

Molecular Formula

C30 H33 D5 N2 O2

Molecular Weight

463.68

Accurate Mass

463.32

SMILES

OC(C=C1CC2)=CC=C1C[C@@H]2C(C=CC(OC)=C3)=C3N(CC)CC4=CC=C(C=C4)CCNC([2H])([2H])C([2H])([2H])[2H]

InChI

InChI=1S/C30H38N2O2/c1-4-31-17-16-22-6-8-23(9-7-22)21-32(5-2)30-20-28(34-3)14-15-29(30)26-11-10-25-19-27(33)13-12-24(25)18-26/h6-9,12-15,19-20,26,31,33H,4-5,10-11,16-18,21H2,1-3H3/t26-/m1/s1/i1D3,4D2

IUPAC

(R)-6-(2-(ethyl(4-(2-((ethyl-d5)amino)ethyl)benzyl)amino)-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-o

Unlabelled CAS Number

722533-56-4

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Neat