Analyte Name

Levomethadone N2-Methyl-1,2-propanediamine Benzoyl L-Arginine Hydrochloride 13C6

Molecular Formula

C33 13C6 H53 N7 O4 • HCl

Molecular Weight

726.31

Accurate Mass

725.41

SMILES

O=C(NCC(C)N(C)C(O/C(C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)=C/C)=O)[C@@H](NC([13C]3=[13CH][13CH]=[13CH][13CH]=[13CH]3)=O)CCCNC(N)=N.Cl

InChI

InChI=1S/C39H53N7O4.ClH/c1-7-34(39(26-28(2)45(4)5,31-20-13-9-14-21-31)32-22-15-10-16-23-32)50-38(49)46(6)29(3)27-43-36(48)33(24-17-25-42-37(40)41)44-35(47)30-18-11-8-12-19-30;/h7-16,18-23,28-29,33H,17,24-27H2,1-6H3,(H,43,48)(H,44,47)(H4,40,41,42);1H/b34-7+;/t28-,29?,33+;/m1./s1/i8+1,11+1,12+1,18+1,19+1,30+1;

IUPAC

(R,E)-6-(dimethylamino)-4,4-diphenylhept-2-en-3-yl (1-((S)-2-(benzamido-13C6)-5-guanidinopentanamido)propan-2-yl)(methyl)carbamate hydrochloride

SIL Type

Carbon

Country of Origin

CANADA

Product Format

Neat