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Details

Stereochemistry UNKNOWN
Molecular Formula C26H36N4O3
Molecular Weight 452.589
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3R)-1-[6-(2,3-dihydroxypentan-3-yl)pyridin-3-yl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one

SMILES

CCC(O)(C(C)O)C1=NC=C(C=C1)N2CC[C@@H](CC3=CC=CC=C3N4CCN(C)CC4)C2=O

InChI

InChIKey=DBJVUOWVSOENGD-AHRWMNNESA-N
InChI=1S/C26H36N4O3/c1-4-26(33,19(2)31)24-10-9-22(18-27-24)30-12-11-21(25(30)32)17-20-7-5-6-8-23(20)29-15-13-28(3)14-16-29/h5-10,18-19,21,31,33H,4,11-17H2,1-3H3/t19?,21-,26?/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H36N4O3
Molecular Weight 452.589
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 1 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:33:44 GMT 2025
Edited
by admin
on Wed Apr 02 19:33:44 GMT 2025
Record UNII
N39USS6GCB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CE-210,666 active metabolite
Preferred Name English
(3R)-1-[6-(2,3-dihydroxypentan-3-yl)pyridin-3-yl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
Systematic Name English
CE-210666 active metabolite
Code English
2-Pyrrolidinone, 1-[6-[(1-ethyl-1,2-dihydroxypropyl]-3-pyridinyl]-3-[[2-(4-methyl-1-piperazinyl)phenyl]methyl]-, (3R)-
Systematic Name English
Code System Code Type Description
FDA UNII
N39USS6GCB
Created by admin on Wed Apr 02 19:33:44 GMT 2025 , Edited by admin on Wed Apr 02 19:33:44 GMT 2025
PRIMARY
PUBCHEM
15985440
Created by admin on Wed Apr 02 19:33:44 GMT 2025 , Edited by admin on Wed Apr 02 19:33:44 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
PARENT -> METABOLITE