Analyte Name

Avizafone-d5 Dihydrobromide

Molecular Formula

C22H24D5Br2ClN4O3

Molecular Weight

597.79

Accurate Mass

595.06

SMILES

ClC1=CC(C(C2=C([2H])C([2H])=C([2H])C([2H])=C2[2H])=O)=C(N(C(CNC([C@@H](N)CCCCN)=O)=O)C)C=C1.Br.Br

InChI

InChI=1S/C22H27ClN4O3.2BrH/c1-27(20(28)14-26-22(30)18(25)9-5-6-12-24)19-11-10-16(23)13-17(19)21(29)15-7-3-2-4-8-15;;/h2-4,7-8,10-11,13,18H,5-6,9,12,14,24-25H2,1H3,(H,26,30);2*1H/t18-;;/m0../s1/i2D,3D,4D,7D,8D;;

IUPAC

(S)-2,6-diamino-N-(2-((2-(benzoyl-2,3,4,5,6-d5)-4-chlorophenyl)(methyl)amino)-2-oxoethyl)hexanamide dihydrobromide

Alternate CAS Number

Avizafone-d5: 1356022-34-8

Unlabelled CAS Number

60067-15-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat