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Details

Stereochemistry ACHIRAL
Molecular Formula C19H19NOS
Molecular Weight 309.425
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-Oxo Ketotifen

SMILES

CN1CCC(CC1)=C2C3=C(CC(=O)C4=CC=CC=C24)SC=C3

InChI

InChIKey=VKHZVYSAANYDBM-UHFFFAOYSA-N
InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)19-15-5-3-2-4-14(15)17(21)12-18-16(19)8-11-22-18/h2-5,8,11H,6-7,9-10,12H2,1H3

HIDE SMILES / InChI

Molecular Formula C19H19NOS
Molecular Weight 309.425
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 19:52:40 GMT 2023
Edited
by admin
on Sat Dec 16 19:52:40 GMT 2023
Record UNII
3FR2M45S97
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-Oxo Ketotifen
Common Name English
9H-Benzo[4,5]cyclohepta[1,2-b]thiophen-9-one, 4,10-dihydro-4-(1-methyl-4-piperidinylidene)-
Systematic Name English
KETOTIFEN HYDROGEN FUMARATE IMPURITY F [EP IMPURITY]
Common Name English
Ketotifen Impurity E
Common Name English
4,10-Dihydro-4-(1-methyl-4-piperidinylidene)-9H-benzo[4,5]cyclohepta[1,2-b]thiophen-9-one
Systematic Name English
4-(1-methylpiperidin-4-ylidene)-4,10-dihydro-9H-benzo[4,5]cyclohepta[1,2-b]thiophen-9-one
Systematic Name English
Code System Code Type Description
PUBCHEM
12274837
Created by admin on Sat Dec 16 19:52:40 GMT 2023 , Edited by admin on Sat Dec 16 19:52:40 GMT 2023
PRIMARY
CAS
34580-09-1
Created by admin on Sat Dec 16 19:52:40 GMT 2023 , Edited by admin on Sat Dec 16 19:52:40 GMT 2023
PRIMARY
FDA UNII
3FR2M45S97
Created by admin on Sat Dec 16 19:52:40 GMT 2023 , Edited by admin on Sat Dec 16 19:52:40 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY