Analyte Name

Dehydrobarnidipine

CAS Number

172331-68-9

Molecular Formula

C27 H27 N3 O6

Molecular Weight

489.52

Accurate Mass

489.19

SMILES

COC(=O)c1c(C)nc(C)c(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)c1c4cccc(c4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N3O6/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19/h4-11,14,22H,12-13,15-16H2,1-3H3/t22-/m0/s1

IUPAC

3-O-[(3S)-1-benzylpyrrolidin-3-yl] 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat