Analyte Name

Chloropretadalafil-13C2

Molecular Formula

13C2 C20 H19 Cl N2 O5

Molecular Weight

428.835

Accurate Mass

428.105

SMILES

COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1[13C](=O)[13CH2]Cl)c4ccc5OCOc5c4

InChI

InChI=1S/C22H19ClN2O5/c1-28-22(27)16-9-14-13-4-2-3-5-15(13)24-20(14)21(25(16)19(26)10-23)12-6-7-17-18(8-12)30-11-29-17/h2-8,16,21,24H,9-11H2,1H3/t16-,21-/m1/s1/i10+1,19+1

IUPAC

methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate

Unlabelled CAS Number

171489-59-1

SIL Type

Carbon

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat