Edotreotide Gallium Ga-68
2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gallium-68(3+)
Molecular Identity
Edotreotide Gallium Ga-68
2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gallium-68(3+)
PubChem CID: 71661158
2D Structure
Properties
C65H89GaN14O18S2
Molecular Formula
1486.50
Molecular Weight
g/mol
1485.5201
Exact Mass
Da
539
TPSA
May have limited oral absorption
14
H-Bond Donors
25
H-Bond Acceptors
2600
Complexity
SMILES
Canonical SMILES
SMILES: CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)NC(CO)C(C)O)O.[Ga+3]Isomeric SMILES
SMILES: C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)N[C@H](CO)[C@@H](C)O)O.[68Ga+3]Synonyms(20)
edotreotide gallium ga-68SomaKit TOCGa 68 DotatocGallium dotatoc Ga 68Gallium dotatoc Ga-68Gallium Ga 68-dotatocEdotreotide gallium Ga 68Gallium edotreotide Ga-68Gallium Ga 68-edotreotideGallium Ga-68 edotreotideGallium (68Ga) edotreotide68Ga-DOTA-Tyr3-octreotideGa-68-DotatocGa-68 DOTA-Tyr3-octreotideY68179SY2L
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Edotreotide Gallium Ga-68
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