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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H18ClF3N4O3
Molecular Weight 501.875
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GSK-2647544 F-18

SMILES

FC(F)([18F])C1=C(Cl)C=CC(OC2=CC=C(CCOC3=NC(=O)C(CC4=CN=CN=C4)=CN3)C=C2)=C1

InChI

InChIKey=DRACNSAQZFZUKW-KPVNRNJOSA-N
InChI=1S/C24H18ClF3N4O3/c25-21-6-5-19(10-20(21)24(26,27)28)35-18-3-1-15(2-4-18)7-8-34-23-31-13-17(22(33)32-23)9-16-11-29-14-30-12-16/h1-6,10-14H,7-9H2,(H,31,32,33)/i26-1

HIDE SMILES / InChI

Molecular Formula C24H18ClF3N4O3
Molecular Weight 501.875
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 Dec 15 17:27:56 GMT 2023
Edited
by admin
on Fri Dec 15 17:27:56 GMT 2023
Record UNII
Y12KJ6S66E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GSK-2647544 F-18
Code English
(18F)GSK-2647544
Code English
4(3H)-PYRIMIDINONE, 2-(2-(4-(4-CHLORO-3-((FLUORO-18)TRIFLUOROMETHYL)PHENOXY)PHENYL)ETHOXY)-5-(5-PYRIMIDINYLMETHYL)-
Systematic Name English
[18F]GSK2647544
Code English
Code System Code Type Description
PUBCHEM
135391014
Created by admin on Fri Dec 15 17:27:56 GMT 2023 , Edited by admin on Fri Dec 15 17:27:56 GMT 2023
PRIMARY
FDA UNII
Y12KJ6S66E
Created by admin on Fri Dec 15 17:27:56 GMT 2023 , Edited by admin on Fri Dec 15 17:27:56 GMT 2023
PRIMARY
CAS
2247636-10-6
Created by admin on Fri Dec 15 17:27:56 GMT 2023 , Edited by admin on Fri Dec 15 17:27:56 GMT 2023
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
TARGET->RADIOLIGAND
Related Record Type Details
ACTIVE MOIETY