3-(S)-Hydroxypyrrolidinylavanafil
Product Code
TRC-H952840-100MG
CAS Number
Product Format
Neat
Molecular Formula
C23 H26 Cl N7 O4
Molecular Weight
499.95
Product Categories
Product Information
Chemical Data
Analyte Name
3-(S)-Hydroxypyrrolidinylavanafil
CAS Number
330785-58-5
Molecular Formula
C23 H26 Cl N7 O4
Molecular Weight
499.95
Accurate Mass
499.173
SMILES
COc1ccc(CNc2nc(ncc2C(=O)NCc3ncccn3)N4CC[C@H](O)[C@H]4CO)cc1Cl
InChI
InChI=1S/C23H26ClN7O4/c1-35-19-4-3-14(9-16(19)24)10-27-21-15(22(34)28-12-20-25-6-2-7-26-20)11-29-23(30-21)31-8-5-18(33)17(31)13-32/h2-4,6-7,9,11,17-18,32-33H,5,8,10,12-13H2,1H3,(H,28,34)(H,27,29,30)/t17-,18+/m1/s1
IUPAC
4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat