Psma-R2 gallium GA-68
2-[4-[2-[[6-[(4-bromophenyl)methyl-[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-6-oxohexyl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gallium-68(3+)
Molecular Identity
Psma-R2 gallium GA-68
2-[4-[2-[[6-[(4-bromophenyl)methyl-[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-6-oxohexyl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gallium-68(3+)
PubChem CID: 163203566
2D Structure
Properties
C41H60BrGaN8O15
Molecular Formula
1052.80
Molecular Weight
g/mol
1051.2641
Exact Mass
Da
336
TPSA
May have limited oral absorption
6
H-Bond Donors
19
H-Bond Acceptors
1520
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CCN(CCN(CCN1CC(=O)NCCCCCC(=O)N(CCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)CC2=CC=C(C=C2)Br)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ga+3]Isomeric SMILES
SMILES: C1CN(CCN(CCN(CCN1CC(=O)NCCCCCC(=O)N(CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)CC2=CC=C(C=C2)Br)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[68Ga+3]Synonyms(11)
68Gapsma-R2Gallium Ga 68 psma-R2Psma-R2 gallium Ga-686D0D45UK0J68Ga-PSMA-R22247932-14-3Gallium-68 PSMA-R2RefChem:1097145Gallium (68Ga) psma-R2UNII-6D0D45UK0JEX-A7150
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Psma-R2 gallium GA-68
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