Ga-68 Pentixafor
2-[4,7-bis(carboxylatomethyl)-10-[2-[[4-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;gallium-68(3+)
Molecular Identity
Ga-68 Pentixafor
2-[4,7-bis(carboxylatomethyl)-10-[2-[[4-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;gallium-68(3+)
PubChem CID: 133082710
2D Structure
Properties
C60H77GaN14O14
Molecular Formula
1286.30
Molecular Weight
g/mol
1285.5023
Exact Mass
Da
413
TPSA
May have limited oral absorption
9
H-Bond Donors
19
H-Bond Acceptors
2320
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Ga-68 Pentixafor68Ga-Cpcr4-2Pentixafor gallium Ga-68CPCR4-2 Ga-68Y92N1ZLI871345698-96-5GALLIUM (68GA) BOCLATIXAFORTIDE68Ga PentixaforGa68 Pentixafor(68Ga) PentixaforRefChem:1085658Gallium Ga 68 PentixaforGallium Ga 68 BoclatixafortideUNII-Y92N1ZLI87(68GA)PENTIXAFOR
Data from PubChem (NCBI)
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