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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22F4N6O
Molecular Weight 449.4351
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=KSKJMSAKVZSMMV-LBXDGNDASA-N
InChI=1S/C21H22F4N6O/c22-13-32-18-9-8-16(31-20(21(23,24)25)28-29-30-31)11-15(18)12-27-17-7-4-10-26-19(17)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,17,19,26-27H,4,7,10,12-13H2/t17-,19-/m0/s1/i22-1

HIDE SMILES / InChI

Molecular Formula C21H22F4N6O
Molecular Weight 449.4351
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 Fri Dec 15 15:48:29 UTC 2023
Edited
by admin
on Fri Dec 15 15:48:29 UTC 2023
Record UNII
4YL3GT1EV9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SPA-RQ F-18
Common Name English
(18F)-SPA-RQ
Common Name English
(18F)-L-829165
Common Name English
SUBSTANCE P ANTAGONIST RECEPTOR QUANTIFIER F-18
Common Name English
L-829165 F-18
Common Name English
Code System Code Type Description
CAS
262598-99-2
Created by admin on Fri Dec 15 15:48:29 UTC 2023 , Edited by admin on Fri Dec 15 15:48:29 UTC 2023
PRIMARY
PUBCHEM
6914513
Created by admin on Fri Dec 15 15:48:29 UTC 2023 , Edited by admin on Fri Dec 15 15:48:29 UTC 2023
PRIMARY
NCI_THESAURUS
C71071
Created by admin on Fri Dec 15 15:48:29 UTC 2023 , Edited by admin on Fri Dec 15 15:48:29 UTC 2023
PRIMARY
FDA UNII
4YL3GT1EV9
Created by admin on Fri Dec 15 15:48:29 UTC 2023 , Edited by admin on Fri Dec 15 15:48:29 UTC 2023
PRIMARY
Related Record Type Details
TARGET->RADIOLIGAND