U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H32N2O6
Molecular Weight 420.4993
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-(((1R,2R)-2-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-HYDROXY-1-(PYRROLIDIN-1-YLMETHYL)ETHYL)AMINO)-7-OXO-HEPTANOIC ACID

SMILES

O[C@@H]([C@@H](CN1CCCC1)NC(=O)CCCCCC(O)=O)C2=CC=C3OCCOC3=C2

InChI

InChIKey=FYFNLJZHBAYLHM-VGOFRKELSA-N
InChI=1S/C22H32N2O6/c25-20(6-2-1-3-7-21(26)27)23-17(15-24-10-4-5-11-24)22(28)16-8-9-18-19(14-16)30-13-12-29-18/h8-9,14,17,22,28H,1-7,10-13,15H2,(H,23,25)(H,26,27)/t17-,22-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
7-(((1R,2R)-2-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-HYDROXY-1-(PYRROLIDIN-1-YLMETHYL)ETHYL)AMINO)-7-OXO-HEPTANOIC ACID
Systematic Name English
GENZ-399207
Code English
ELIGLUSTAT METABOLITE M25
Common Name English
Code System Code Type Description
FDA UNII
F87D8YTL4V
Created by admin on Sat Dec 16 14:57:18 GMT 2023 , Edited by admin on Sat Dec 16 14:57:18 GMT 2023
PRIMARY
PUBCHEM
156613688
Created by admin on Sat Dec 16 14:57:18 GMT 2023 , Edited by admin on Sat Dec 16 14:57:18 GMT 2023
PRIMARY