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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H21NO2
Molecular Weight 295.3755
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Doxepin N-Oxide, (E)-

SMILES

C[N+](C)([O-])CC\C=C1/C2=CC=CC=C2COC3=C1C=CC=C3

InChI

InChIKey=QJCSDPQQGVJGQY-GZTJUZNOSA-N
InChI=1S/C19H21NO2/c1-20(2,21)13-7-11-17-16-9-4-3-8-15(16)14-22-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+

HIDE SMILES / InChI

Molecular Formula C19H21NO2
Molecular Weight 295.3755
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 16:13:52 GMT 2025
Edited
by admin
on Wed Apr 02 16:13:52 GMT 2025
Record UNII
DQ23UD98ZV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Propanamine, 3-dibenz[b,e]oxepin-11(6H)-ylidene-N,N-dimethyl-, N-oxide, (3E)-
Preferred Name English
Doxepin N-Oxide, (E)-
Common Name English
1-Propanamine, 3-dibenz[b,e]oxepin-11(6H)-ylidene-N,N-dimethyl-, N-oxide, (E)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID201342974
Created by admin on Wed Apr 02 16:13:53 GMT 2025 , Edited by admin on Wed Apr 02 16:13:53 GMT 2025
PRIMARY
PUBCHEM
100995277
Created by admin on Wed Apr 02 16:13:53 GMT 2025 , Edited by admin on Wed Apr 02 16:13:53 GMT 2025
PRIMARY
FDA UNII
DQ23UD98ZV
Created by admin on Wed Apr 02 16:13:53 GMT 2025 , Edited by admin on Wed Apr 02 16:13:53 GMT 2025
PRIMARY
CAS
131523-93-8
Created by admin on Wed Apr 02 16:13:53 GMT 2025 , Edited by admin on Wed Apr 02 16:13:53 GMT 2025
PRIMARY