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

Details

Stereochemistry ABSOLUTE
Molecular Formula C36H47N9O8.AlF
Molecular Weight 778.7964
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [18F]-FAPI-74

SMILES

[18F][Al++].[O-]C(=O)CN1CCN(CC([O-])=O)CCN(CC(=O)N2CCN(CCCOC3=CC4=C(C=CN=C4C=C3)C(=O)NCC(=O)N5CCC[C@H]5C#N)CC2)CC1

InChI

InChIKey=LYVOZYYJLAGVSX-QOXXPQHTSA-K
InChI=1S/C36H49N9O8.Al.FH/c37-22-27-3-1-9-45(27)32(46)23-39-36(52)29-6-7-38-31-5-4-28(21-30(29)31)53-20-2-8-40-16-18-44(19-17-40)33(47)24-41-10-12-42(25-34(48)49)14-15-43(13-11-41)26-35(50)51;;/h4-7,21,27H,1-3,8-20,23-26H2,(H,39,52)(H,48,49)(H,50,51);;1H/q;+3;/p-3/t27-;;/m0../s1/i;;1-1

HIDE SMILES / InChI

Molecular Formula C36H47N9O8
Molecular Weight 733.8139
Charge -2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula AlF
Molecular Weight 44.9824763
Charge 2
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 Wed Apr 02 16:43:22 GMT 2025
Edited
by admin
on Wed Apr 02 16:43:22 GMT 2025
Record UNII
TK62D59MXV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
[18F]-FAP-23
Preferred Name English
[18F]-FAPI-74
Code English
Aluminum, [7-[2-[4-[3-[[4-[[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]carbonyl]-6-quinolinyl]oxy]propyl]-1-piperazinyl]-2-oxoethyl]hexahydro-1H-1,4,7-triazonine-1,4(5H)-diacetato(2-)-?N1,?N4,?N7]fluoro-18F-, (T-4)-
Systematic Name English
Code System Code Type Description
PUBCHEM
171390022
Created by admin on Wed Apr 02 16:43:22 GMT 2025 , Edited by admin on Wed Apr 02 16:43:22 GMT 2025
PRIMARY
FDA UNII
TK62D59MXV
Created by admin on Wed Apr 02 16:43:22 GMT 2025 , Edited by admin on Wed Apr 02 16:43:22 GMT 2025
PRIMARY
SMS_ID
300000052320
Created by admin on Wed Apr 02 16:43:22 GMT 2025 , Edited by admin on Wed Apr 02 16:43:22 GMT 2025
PRIMARY
CAS
2374782-98-4
Created by admin on Wed Apr 02 16:43:22 GMT 2025 , Edited by admin on Wed Apr 02 16:43:22 GMT 2025
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
Related Record Type Details
ACTIVE MOIETY