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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H28N6O3
Molecular Weight 448.5175
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Gepotidacin, (S)-

SMILES

O=C1C=CC2=C3N1C[C@H](CN4CCC(CC4)NCC5=NC=C6OCCCC6=C5)N3C(=O)C=N2

InChI

InChIKey=PZFAZQUREQIODZ-IBGZPJMESA-N
InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H28N6O3
Molecular Weight 448.5175
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:39:36 GMT 2025
Edited
by admin
on Wed Apr 02 20:39:36 GMT 2025
Record UNII
CJ7JET3847
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Gepotidacin S enantiomer
Preferred Name English
Gepotidacin, (S)-
Common Name English
(S)-2-((4-(((3,4-Dihydro-2H-pyrano[2,3-c]pyridin-6-yl)methyl)amino)piperidin-1-yl)methyl)-1,2-dihydro-3H,8H-2a,5,8a-triazaacenaphthylene-3,8-dione
Systematic Name English
(3S)-3-({4-[({2H,3H,4H-Pyrano[2,3-c]pyridin-6-yl}methyl)amino]piperidin-1-yl}methyl)-1,4,7-triazatricyclo[6.3.1.0,4,12]dodeca-6,8(12),9-triene-5,11-dione
Systematic Name English
Code System Code Type Description
CAS
2319789-82-5
Created by admin on Wed Apr 02 20:39:36 GMT 2025 , Edited by admin on Wed Apr 02 20:39:36 GMT 2025
PRIMARY
FDA UNII
CJ7JET3847
Created by admin on Wed Apr 02 20:39:36 GMT 2025 , Edited by admin on Wed Apr 02 20:39:36 GMT 2025
PRIMARY
PUBCHEM
100214166
Created by admin on Wed Apr 02 20:39:36 GMT 2025 , Edited by admin on Wed Apr 02 20:39:36 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER