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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H21FN2O2
Molecular Weight 339.3939
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (S)-THK-5105 F-18

SMILES

CN(C)C1=CC=C(C=C1)C2=NC3=C(C=C2)C=C(OC[C@H](O)C[18F])C=C3

InChI

InChIKey=YECXMTCPEPHEAA-LMHJQRBWSA-N
InChI=1S/C20H21FN2O2/c1-23(2)16-6-3-14(4-7-16)19-9-5-15-11-18(8-10-20(15)22-19)25-13-17(24)12-21/h3-11,17,24H,12-13H2,1-2H3/t17-/m1/s1/i21-1

HIDE SMILES / InChI

Approval Year

Name Type Language
(S)-THK-5105 F-18
Code English
S-(18F)THK-5105
Code English
(2S)-PROPANOL, 1-((2-(4-(DIMETHYLAMINO)PHENYL)-6-QUINOLINYL)OXY)-3-(FLUORO-18F)-
Systematic Name English
J3.333.984D
Code English
THK5105 F-18
Common Name English
1-((2-(4-(DIMETHYLAMINO)PHENYL)-6-QUINOLINYL)OXY)-3-(FLUORO-18F)-2-PROPANOL
Systematic Name English
18F-THK-5105
Code English
(18F)-THK-5105S
Code English
Code System Code Type Description
PUBCHEM
118655170
Created by admin on Fri Dec 15 23:49:07 GMT 2023 , Edited by admin on Fri Dec 15 23:49:07 GMT 2023
PRIMARY
FDA UNII
4QLN263MTS
Created by admin on Fri Dec 15 23:49:07 GMT 2023 , Edited by admin on Fri Dec 15 23:49:07 GMT 2023
PRIMARY
CAS
1374108-16-3
Created by admin on Fri Dec 15 23:49:07 GMT 2023 , Edited by admin on Fri Dec 15 23:49:07 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY