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Details

Stereochemistry RACEMIC
Molecular Formula C16H13N3O.ClH
Molecular Weight 299.755
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-Oxo Epinastine Hydrochloride

SMILES

Cl.NC1=NCC2N1C3=CC=CC=C3C(=O)C4=CC=CC=C24

InChI

InChIKey=VJODZVLWBJGRAS-UHFFFAOYSA-N
InChI=1S/C16H13N3O.ClH/c17-16-18-9-14-10-5-1-2-6-11(10)15(20)12-7-3-4-8-13(12)19(14)16;/h1-8,14H,9H2,(H2,17,18);1H

HIDE SMILES / InChI

Molecular Formula C16H13N3O
Molecular Weight 263.2939
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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 Wed Apr 02 18:18:42 GMT 2025
Edited
by admin
on Wed Apr 02 18:18:42 GMT 2025
Record UNII
854A6QCD7J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WAL-1725CL
Preferred Name English
9-Oxo Epinastine Hydrochloride
Common Name English
9H-Dibenz[c,f]imidazo[1,5-a]azepin-9-one, 3-amino-1,13b-dihydro-, monohydrochloride
Systematic Name English
WAL1725CL
Code English
9H-Dibenz[c,f]imidazo[1,5-a]azepin-9-one, 3-amino-1,13b-dihydro-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
71306709
Created by admin on Wed Apr 02 18:18:42 GMT 2025 , Edited by admin on Wed Apr 02 18:18:42 GMT 2025
PRIMARY
FDA UNII
854A6QCD7J
Created by admin on Wed Apr 02 18:18:42 GMT 2025 , Edited by admin on Wed Apr 02 18:18:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID50745378
Created by admin on Wed Apr 02 18:18:42 GMT 2025 , Edited by admin on Wed Apr 02 18:18:42 GMT 2025
PRIMARY
CAS
141342-69-0
Created by admin on Wed Apr 02 18:18:42 GMT 2025 , Edited by admin on Wed Apr 02 18:18:42 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE