ZZ7Stn2lbb
2-[4,7-bis(carboxylatomethyl)-10-[2-[4-[3-[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;gallium-68(3+)
Molecular Identity
ZZ7Stn2lbb
2-[4,7-bis(carboxylatomethyl)-10-[2-[4-[3-[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;gallium-68(3+)
PubChem CID: 155907829
2D Structure
Properties
C40H51F2GaN10O10
Molecular Formula
937.80
Molecular Weight
g/mol
937.3038
Exact Mass
Da
252
TPSA
May have limited oral absorption
1
H-Bond Donors
19
H-Bond Acceptors
1570
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CCN1CCCOC2=CC3=C(C=CN=C3C=C2)C(=O)NCC(=O)N4CC(CC4C#N)(F)F)C(=O)CN5CCN(CCN(CCN(CC5)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ga+3]Isomeric SMILES
SMILES: C1CN(CCN1CCCOC2=CC3=C(C=CN=C3C=C2)C(=O)NCC(=O)N4CC(C[C@H]4C#N)(F)F)C(=O)CN5CCN(CCN(CCN(CC5)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[68Ga+3]Synonyms(10)
Gallium-68-fapi-04ZZ7STN2LBB(68Ga)-DOTA-fapi-04FAPI-04 Ga-68DOTA-fapi-04 gallium Ga-68Gallium Ga 68-DOTA-fapi-04Gallium Ga-68-DOTA-fapi-04UNII-ZZ7STN2LBB2374784-95-7GALLIUM-68GA, (10-(2-(4-(3-((4-(((2-((2S)-2-CYANO-4,4-DIFLUORO-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)-
Data from PubChem (NCBI)
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