PSMA-11

Chemical Information
Gozetotide is an unlabeled radiotracer composed of the human prostate specific membrane antigen (PSMA)-targeting ligand and linked to the acyclic radiometal chelator N,N'-bis [2-hydroxy-5-(carboxyethyl)benzyl] ethylenediamine-N,N'-diacetic acid (HBED-CC), that may potentially be used to prevent or reduce salivary gland toxicities of PSMA-targeted radionuclides. Upon administration of gozetotide into the salivary gland, gozetotide may selectively decrease salivary uptake of systemically administered PSMA-targeted radionuclides. This may reduce the salivary gland toxicities of these agents including salivary gland hypofunction and xerostomia.
| CAS Number | 1366302-52-4 |
| PubChem CID | 60143283 |
| IUPAC Name | (2S)-2-[[(1S)-1-carboxy-5-[6-[3-[3-[[2-[[5-(2-carboxyethyl)-2-hydroxyphenyl]methyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]-4-hydroxyphenyl]propanoylamino]hexanoylamino]pentyl]carbamoylamino]pentanedioic acid |
| Molecular Formula | C44H62N6O17 |
| Molecular Weight | 947.0 |
| XLogP | -3.9 |
| Topological Polar Surface Area | 370 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 35 |
| Heavy Atom Count | 67 |
| Formal Charge | 0 |
| Complexity | 1620 |
| Property | Value |
|---|---|
| Molecular Weight | 947.0 |
| XLogP3 | -3.9 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 35 |
| Exact Mass | 946.41714453 |
| Monoisotopic Mass | 946.41714453 |
| Topological Polar Surface Area | 370 Ų |
| Heavy Atom Count | 67 |
| Formal Charge | 0 |
| Complexity | 1620 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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