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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H28FNO5
Molecular Weight 464.5159
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 7-(2-CYCLOPROPYL-4-(4-(2-(FLUORO-18F)ETHOXY)PHENYL)-3-QUINOLINYL)-3,5-DIHYDROXY-6-HEPTENOIC ACID, (3R,5S,6E)-

SMILES

O[C@H](C[C@H](O)\C=C\C1=C(C2=CC=C(OCC[18F])C=C2)C3=C(C=CC=C3)N=C1C4CC4)CC(O)=O

InChI

InChIKey=SPOCALKCBUKFRC-LGHSKKJBSA-N
InChI=1S/C27H28FNO5/c28-13-14-34-21-10-7-17(8-11-21)26-22-3-1-2-4-24(22)29-27(18-5-6-18)23(26)12-9-19(30)15-20(31)16-25(32)33/h1-4,7-12,18-20,30-31H,5-6,13-16H2,(H,32,33)/b12-9+/t19-,20-/m1/s1/i28-1

HIDE SMILES / InChI

Molecular Formula C27H28FNO5
Molecular Weight 464.5159
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:34:44 GMT 2025
Edited
by admin
on Mon Mar 31 22:34:44 GMT 2025
Record UNII
8LSL2H7TXM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(18F)PTV-F1
Preferred Name English
7-(2-CYCLOPROPYL-4-(4-(2-(FLUORO-18F)ETHOXY)PHENYL)-3-QUINOLINYL)-3,5-DIHYDROXY-6-HEPTENOIC ACID, (3R,5S,6E)-
Systematic Name English
(E,3R,5S)-7-(2-CYCLOPROPYL-4-(4-(2-FLUORANYLETHOXY)PHENYL)-3-QUINOLYL)-3,5-DIHYDROXY-HEPT-6-ENOIC ACID
Systematic Name English
6-HEPTENOIC ACID, 7-(2-CYCLOPROPYL-4-(4-(2-(FLUORO-18F)ETHOXY)PHENYL)-3-QUINOLINYL)-3,5-DIHYDROXY-, (3R,5S,6E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
66556690
Created by admin on Mon Mar 31 22:34:44 GMT 2025 , Edited by admin on Mon Mar 31 22:34:44 GMT 2025
PRIMARY
CAS
1398394-11-0
Created by admin on Mon Mar 31 22:34:44 GMT 2025 , Edited by admin on Mon Mar 31 22:34:44 GMT 2025
PRIMARY
FDA UNII
8LSL2H7TXM
Created by admin on Mon Mar 31 22:34:44 GMT 2025 , Edited by admin on Mon Mar 31 22:34:44 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY
Results: (18F)PTV-F1 was produced in about 80 minutes with radioactivity of 4.9+/-1.4 GBq, radiochemical yield (decay uncorrected) of 25.0+/-3.6%, radiochemical purity of >98.1% and specific activity of 197.2+/-49.3 GBq/undefinedmol. The products meet the relevant quality standard such as the Quality Control of (18F)FDG. The reference compound was tested for toxicity in the mice. The effective dose for the adult dosimetric model was estimated to be 0.0121 mSv/MBq using OLINDA/EXM 1.1. Conclusions: On this cassette-type multipurpose automatic synthesizer module, the synthesis of (18F)PTV-F1 for clinical grade was successfully implemented in our first-in-man study with healthy volunteers.