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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H19NO2S
Molecular Weight 325.425
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ketotifen N-Oxide

SMILES

C[N+]1([O-])CCC(CC1)=C2C3=C(SC=C3)C(=O)CC4=CC=CC=C24

InChI

InChIKey=FDAHLWKMNJCURA-AQTBWJFISA-N
InChI=1S/C19H19NO2S/c1-20(22)9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-23-19/h2-5,8,11H,6-7,9-10,12H2,1H3/b18-13-

HIDE SMILES / InChI

Molecular Formula C19H19NO2S
Molecular Weight 325.425
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 19:56:23 GMT 2023
Edited
by admin
on Sat Dec 16 19:56:23 GMT 2023
Record UNII
72Y2QNS3UB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ketotifen N-Oxide
Common Name English
10H-Benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-1-oxido-4-piperidinylidene)-
Common Name English
4,9-Dihydro-4-(1-methyl-1-oxido-4-piperidinylidene)-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one
Common Name English
4-[(RaSa)-1-methylpiperidin-4-ylidene]-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one N-oxide
Common Name English
10H-Benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-, N-oxide
Systematic Name English
ketotifen N-oxid
Common Name English
KETOTIFEN HYDROGEN FUMARATE IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
88456-70-6
Created by admin on Sat Dec 16 19:56:23 GMT 2023 , Edited by admin on Sat Dec 16 19:56:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID00483612
Created by admin on Sat Dec 16 19:56:23 GMT 2023 , Edited by admin on Sat Dec 16 19:56:23 GMT 2023
PRIMARY
FDA UNII
72Y2QNS3UB
Created by admin on Sat Dec 16 19:56:23 GMT 2023 , Edited by admin on Sat Dec 16 19:56:23 GMT 2023
PRIMARY
PUBCHEM
12274874
Created by admin on Sat Dec 16 19:56:23 GMT 2023 , Edited by admin on Sat Dec 16 19:56:23 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY