68Ga-DOTATATE
2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-[[(1S,2R)-1-carboxy-2-hydroxypropyl]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
68Ga-DOTATATE
2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-[[(1S,2R)-1-carboxy-2-hydroxypropyl]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: 131634491
2D Structure
Properties
C65H87GaN14O19S2
Molecular Formula
1500.50
Molecular Weight
g/mol
1499.4993
Exact Mass
Da
557
TPSA
May have limited oral absorption
14
H-Bond Donors
26
H-Bond Acceptors
2690
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
68Ga-DOTATATEUNII-9L17Y0H71PRefChem:57250Gallium 68 DOTA-octreotide68gallium-DOTA-Tyr(3)-Thr(8)-octreotate459831-08-4Dotatate gallium Ga-68GatateGallium 68 dotatateGallium Ga 68 dotatateGallium dotatate, Ga-68Gallium (68Ga) DOTA-tateDOTA-octreotate gallium Ga-68Gallium-DOTA-octreotate Ga-68(68Ga)Gallium dotatate
Data from PubChem (NCBI)
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Trials and conditions connected to 68Ga-DOTATATE
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