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Details

Stereochemistry ACHIRAL
Molecular Formula C21H25N3O2.ClH
Molecular Weight 387.903
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GSK-189254 HYDROCHLORIDE

SMILES

Cl.CNC(=O)C1=CC=C(OC2=CC=C3CCN(CCC3=C2)C4CCC4)N=C1

InChI

InChIKey=GRQVZNMSXFEEHD-UHFFFAOYSA-N
InChI=1S/C21H25N3O2.ClH/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19;/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25);1H

HIDE SMILES / InChI

Molecular Formula C21H25N3O2
Molecular Weight 351.4421
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:56:07 UTC 2023
Edited
by admin
on Sat Dec 16 07:56:07 UTC 2023
Record UNII
4AJV79N1A6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GSK-189254 HYDROCHLORIDE
Common Name English
3-PYRIDINECARBOXAMIDE, 6-((3-CYCLOBUTYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPIN-7-YL)OXY)-N-METHYL-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
24768876
Created by admin on Sat Dec 16 07:56:07 UTC 2023 , Edited by admin on Sat Dec 16 07:56:07 UTC 2023
PRIMARY
CAS
945493-87-8
Created by admin on Sat Dec 16 07:56:07 UTC 2023 , Edited by admin on Sat Dec 16 07:56:07 UTC 2023
PRIMARY
FDA UNII
4AJV79N1A6
Created by admin on Sat Dec 16 07:56:07 UTC 2023 , Edited by admin on Sat Dec 16 07:56:07 UTC 2023
PRIMARY
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PARENT -> SALT/SOLVATE
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ACTIVE MOIETY