Analyte Name

5'-DMT DA(Bz) Succinate Potassium Salt

Molecular Formula

C42 H38 K N5 O9

Molecular Weight

795.89

Accurate Mass

795.23

SMILES

O=C(NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COC(C4=CC=C(OC)C=C4)(C5=CC=CC=C5)C6=CC=C(OC)C=C6)[C@@H](OC(CCC([O-])=O)=O)C3)C7=CC=CC=C7.[K+]

InChI

InChI=1S/C42H39N5O9.K/c1-52-31-17-13-29(14-18-31)42(28-11-7-4-8-12-28,30-15-19-32(53-2)20-16-30)54-24-34-33(56-37(50)22-21-36(48)49)23-35(55-34)47-26-45-38-39(43-25-44-40(38)47)46-41(51)27-9-5-3-6-10-27;/h3-20,25-26,33-35H,21-24H2,1-2H3,(H,48,49)(H,43,44,46,51);/q;+1/p-1/t33-,34+,35+;/m0./s1

IUPAC

potassium 4-(((2R,3S,5R)-5-(6-benzamido-9H-purin-9-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)tetrahydrofuran-3-yl)oxy)-4-oxobutanoate

Alternate CAS Number

74405-42-8

Country of Origin

CANADA

Product Format

Neat