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Details

Stereochemistry ACHIRAL
Molecular Formula C22H22FN3O3
Molecular Weight 403.4592
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KETANSERIN H-3

SMILES

[3H]C([3H])(N1CCC(CC1)C(=O)C2=CC=C(F)C=C2)C([3H])([3H])N3C(=O)NC4=C(C=CC=C4)C3=O

InChI

InChIKey=FPCCSQOGAWCVBH-PSQIVULCSA-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)/i13T2,14T2

HIDE SMILES / InChI

Molecular Formula C22H22FN3O3
Molecular Weight 403.4592
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 19:07:46 UTC 2023
Edited
by admin
on Sat Dec 16 19:07:46 UTC 2023
Record UNII
K2EKD66LRL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KETANSERIN H-3
Common Name English
3H-KETANSERIN
Common Name English
2,4(1H,3H)-QUINAZOLINEDIONE, 3-(2-(4-(4-FLUOROBENZOYL)-1-PIPERIDINYL)ETHYL-1,1,2,2-T4)-
Systematic Name English
Code System Code Type Description
CAS
112307-74-1
Created by admin on Sat Dec 16 19:07:47 UTC 2023 , Edited by admin on Sat Dec 16 19:07:47 UTC 2023
PRIMARY
PUBCHEM
53324643
Created by admin on Sat Dec 16 19:07:47 UTC 2023 , Edited by admin on Sat Dec 16 19:07:47 UTC 2023
PRIMARY PUBCHEM
FDA UNII
K2EKD66LRL
Created by admin on Sat Dec 16 19:07:47 UTC 2023 , Edited by admin on Sat Dec 16 19:07:47 UTC 2023
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
TARGET->RADIOLIGAND