Analyte Name

AB-FUBINACA metabolite 3

CAS Number

1877243-60-1

Molecular Formula

C20 H20 F N3 O3

Molecular Weight

369.40

Accurate Mass

369.1489

SMILES

CC(C)[C@H](NC(=O)c1nn(Cc2ccc(F)cc2)c3ccccc13)C(=O)O

InChI

InChI=1S/C20H20FN3O3/c1-12(2)17(20(26)27)22-19(25)18-15-5-3-4-6-16(15)24(23-18)11-13-7-9-14(21)10-8-13/h3-10,12,17H,11H2,1-2H3,(H,22,25)(H,26,27)/t17-/m0/s1

IUPAC

(2S)-2-[[1-[(4-fluorophenyl)methyl]indazole-3-carbonyl]amino]-3-methylbutanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat