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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24F4N6O
Molecular Weight 463.4617
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FE-SPA-RQ F-18

SMILES

FC(F)(F)C1=NN=NN1C2=CC=C(OCC[18F])C(CN[C@H]3CCCN[C@H]3C4=CC=CC=C4)=C2

InChI

InChIKey=XEQIZPQHPUZFHX-DTMBSGAKSA-N
InChI=1S/C22H24F4N6O/c23-10-12-33-19-9-8-17(32-21(22(24,25)26)29-30-31-32)13-16(19)14-28-18-7-4-11-27-20(18)15-5-2-1-3-6-15/h1-3,5-6,8-9,13,18,20,27-28H,4,7,10-12,14H2/t18-,20-/m0/s1/i23-1

HIDE SMILES / InChI

Molecular Formula C22H24F4N6O
Molecular Weight 463.4617
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:29:33 GMT 2023
Edited
by admin
on Sat Dec 16 18:29:33 GMT 2023
Record UNII
D8HE7NY47J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FE-SPA-RQ F-18
Code English
FESPA-RQ F-18
Common Name English
(18F)FE-SPA-RQ
Code English
(2S,3S)-N-((2-(2-(FLUORO-18F)ETHOXY)-5-(5-(TRIFLUOROMETHYL)-1H-TETRAZOL-1-YL)PHENYL)METHYL)-2-PHENYL-3-PIPERIDINAMINE
Systematic Name English
3-PIPERIDINAMINE, N-((2-(2-(FLUORO-18F)ETHOXY)-5-(5-(TRIFLUOROMETHYL)-1H-TETRAZOL-1-YL)PHENYL)METHYL)-2-PHENYL-, (2S,3S)-
Systematic Name English
Code System Code Type Description
CAS
677000-30-5
Created by admin on Sat Dec 16 18:29:33 GMT 2023 , Edited by admin on Sat Dec 16 18:29:33 GMT 2023
PRIMARY
FDA UNII
D8HE7NY47J
Created by admin on Sat Dec 16 18:29:33 GMT 2023 , Edited by admin on Sat Dec 16 18:29:33 GMT 2023
PRIMARY
PUBCHEM
10027393
Created by admin on Sat Dec 16 18:29:33 GMT 2023 , Edited by admin on Sat Dec 16 18:29:33 GMT 2023
PRIMARY
Related Record Type Details
TARGET->RADIOLIGAND