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Details

Stereochemistry ACHIRAL
Molecular Formula C22H22FN3O3
Molecular Weight 395.4268
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KETANSERIN

SMILES

FC1=CC=C(C=C1)C(=O)C2CCN(CCN3C(=O)NC4=C(C=CC=C4)C3=O)CC2

InChI

InChIKey=FPCCSQOGAWCVBH-UHFFFAOYSA-N
InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)

HIDE SMILES / InChI

Molecular Formula C22H22FN3O3
Molecular Weight 395.4268
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 17:56:06 UTC 2023
Edited
by admin
on Sat Dec 16 17:56:06 UTC 2023
Record UNII
97F9DE4CT4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KETANSERIN
INN   MART.   MI   USAN   WHO-DD  
USAN   INN  
Official Name English
KETANSERIN [USAN]
Common Name English
ketanserin [INN]
Common Name English
R-41,468
Code English
3-(2-(4-(P-FLUOROBENZOYL)PIPERIDINO)ETHYL)-2,4-(1H,3H)-QUINAZOLINEDIONE
Common Name English
KETANSERIN [MART.]
Common Name English
2,4(1H,3H)-QUINAZOLINEDIONE, 3-(2-(4-(4-FLUOROBENZOYL)-1-PIPERIDINYL)ETHYL)-
Systematic Name English
Ketanserin [WHO-DD]
Common Name English
KETANSERIN [MI]
Common Name English
R-41468
Code English
Classification Tree Code System Code
WHO-VATC QD03AX90
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
WHO-ATC C02KD01
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
NCI_THESAURUS C66885
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
WHO-VATC QC02KD01
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
Code System Code Type Description
IUPHAR
88
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
PRIMARY
ECHA (EC/EINECS)
277-680-2
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
PRIMARY
DRUG CENTRAL
1524
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
PRIMARY
NCI_THESAURUS
C604
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
PRIMARY
DRUG BANK
DB12465
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
PRIMARY
ChEMBL
CHEMBL51
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
PRIMARY
CHEBI
6123
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
PRIMARY
SMS_ID
100000082848
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
PRIMARY
INN
5087
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
PRIMARY
MESH
D007650
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
PRIMARY
WIKIPEDIA
KETANSERIN
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
PRIMARY
FDA UNII
97F9DE4CT4
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
PRIMARY
MERCK INDEX
m6614
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID3023188
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
PRIMARY
EVMPD
SUB08366MIG
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
PRIMARY
CAS
74050-98-9
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
PRIMARY
PUBCHEM
3822
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
PRIMARY
RXCUI
6131
Created by admin on Sat Dec 16 17:56:07 UTC 2023 , Edited by admin on Sat Dec 16 17:56:07 UTC 2023
PRIMARY RxNorm
Related Record Type Details
LABELED -> NON-LABELED
TARGET -> INHIBITOR
Binding Assay
IC50
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
BINDING
IC50
TARGET -> INHIBITOR
BINDING
IC50
Related Record Type Details
ACTIVE MOIETY