Analyte Name

Des(2-hydroxymethylpyrrolidino) 2-[(2-Hydroxymethyl,-3-carboxy)propylamino]avanafil

Molecular Formula

C23 H26 Cl N7 O5

Molecular Weight

515.949

Accurate Mass

515.168

SMILES

COc1ccc(CNc2nc(N[C@H](CO)CCC(=O)O)ncc2C(=O)NCc3ncccn3)cc1Cl

InChI

InChI=1S/C23H26ClN7O5/c1-36-18-5-3-14(9-17(18)24)10-27-21-16(22(35)28-12-19-25-7-2-8-26-19)11-29-23(31-21)30-15(13-32)4-6-20(33)34/h2-3,5,7-9,11,15,32H,4,6,10,12-13H2,1H3,(H,28,35)(H,33,34)(H2,27,29,30,31)/t15-/m0/s1

IUPAC

(4S)-4-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-5-(pyrimidin-2-ylmethylcarbamoyl)pyrimidin-2-yl]amino]-5-hydroxypentanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat