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Details

Stereochemistry ACHIRAL
Molecular Formula C22H22FN3O3
Molecular Weight 403.46
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KETANSERIN H-3

SMILES

c1ccc2c(c1)c(=O)n(C([H])([H])C([H])([H])N3CCC(CC3)C(=O)c4ccc(cc4)F)c(n2)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 403.46
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 Fri Jun 25 21:27:48 UTC 2021
Edited
by admin
on Fri Jun 25 21:27:48 UTC 2021
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 Fri Jun 25 21:27:48 UTC 2021 , Edited by admin on Fri Jun 25 21:27:48 UTC 2021
PRIMARY
PUBCHEM
53324643
Created by admin on Fri Jun 25 21:27:48 UTC 2021 , Edited by admin on Fri Jun 25 21:27:48 UTC 2021
PRIMARY PUBCHEM
FDA UNII
K2EKD66LRL
Created by admin on Fri Jun 25 21:27:48 UTC 2021 , Edited by admin on Fri Jun 25 21:27:48 UTC 2021
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
TARGET->RADIOLIGAND