111In-Pentetreotide
2-[2-[2-[[2-[[1-[[10-(4-aminobutyl)-16-benzyl-4-(1,3-dihydroxybutan-2-ylcarbamoyl)-7-(1-hydroxyethyl)-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]-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl]propanedioate;indium-111(3+)
Molecular Identity
111In-Pentetreotide
2-[2-[2-[[2-[[1-[[10-(4-aminobutyl)-16-benzyl-4-(1,3-dihydroxybutan-2-ylcarbamoyl)-7-(1-hydroxyethyl)-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]-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl]propanedioate;indium-111(3+)
PubChem CID: 76871863
2D Structure
Properties
C62H80InN12O19S2-
Molecular Formula
1472.40
Molecular Weight
g/mol
1471.4155
Exact Mass
Da
553
TPSA
May have limited oral absorption
13
H-Bond Donors
24
H-Bond Acceptors
2530
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
111In-PentetreotideIndium In 111 PentreotideM312JJ6Z32Indium In-111 pentetreotide111 In-pentetreotideIn-111 pentetreotide111indium pentetreotideRefChem:56728111-indium-pentetreotideindium ln-111 pentetreotideIndium In 111-PentetreotideIndium-In 111 PentetreotideIndium-In-111-PentetreotideIndium (111 in) pentetreotideKit for the Preparation of Indium In 111 Pentetreotide
Data from PubChem (NCBI)
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