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

Details

Stereochemistry ABSOLUTE
Molecular Formula C40H53N10O10.Ga
Molecular Weight 903.633
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FAPi-02 GA-68

SMILES

[Ga+3].[O-]C(=O)CN1CCN(CC([O-])=O)CCN(CC(=O)N2CCN(CCCOC3=CC=C4N=CC=C(C(=O)NCC(=O)N5CCC[C@H]5C#N)C4=C3)CC2)CCN(CC([O-])=O)CC1

InChI

InChIKey=LYNXWUSXCQHQAA-CZCBIWLKSA-K
InChI=1S/C40H56N10O10.Ga/c41-24-30-3-1-9-50(30)35(51)25-43-40(59)32-6-7-42-34-5-4-31(23-33(32)34)60-22-2-8-44-18-20-49(21-19-44)36(52)26-45-10-12-46(27-37(53)54)14-16-48(29-39(57)58)17-15-47(13-11-45)28-38(55)56;/h4-7,23,30H,1-3,8-22,25-29H2,(H,43,59)(H,53,54)(H,55,56)(H,57,58);/q;+3/p-3/t30-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C40H56N10O10
Molecular Weight 836.9336
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Ga
Molecular Weight 69.723
Charge 3
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 Sat Dec 16 17:56:40 GMT 2023
Edited
by admin
on Sat Dec 16 17:56:40 GMT 2023
Record UNII
TUK9QB44B0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FAPi-02 GA-68
Common Name English
68GA-FAPi
Common Name English
FAPI GA-68
Common Name English
GALLIUM-68GA, (10-(2-(4-(3-((4-(((2-((2S)-2-CYANO-1-PYRROLIDINYL)-2-OXOETHYL)AMINO)CARBONYL)-6-QUINOLINYL)OXY)PROPYL)-1-PIPERAZINYL)-2-OXOETHYL)-1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETATO(3-)-.KAPPA.N1,.KAPPA.N4,.KAPPA.N7,.KAPPA.N10)-, (T-4)-
Systematic Name English
FAPi-2 GA-68
Common Name English
Code System Code Type Description
FDA UNII
TUK9QB44B0
Created by admin on Sat Dec 16 17:56:40 GMT 2023 , Edited by admin on Sat Dec 16 17:56:40 GMT 2023
PRIMARY
CAS
2374784-94-6
Created by admin on Sat Dec 16 17:56:40 GMT 2023 , Edited by admin on Sat Dec 16 17:56:40 GMT 2023
PRIMARY
PUBCHEM
154925760
Created by admin on Sat Dec 16 17:56:40 GMT 2023 , Edited by admin on Sat Dec 16 17:56:40 GMT 2023
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
PARENT -> SALT/SOLVATE
TARGET->RADIOLIGAND
Related Record Type Details
ACTIVE MOIETY