Octreotide (pamoate)

Chemical Information
Octreotide Pamoate is a synthetic long-acting octapeptide analogue of endogenous somatostatin. Octreotide pamoate binds to somatostatin receptors expressed by some neuroendocrine and non-neuroendocrine tumor cells, thereby initiating somatostatin receptor-mediated apoptosis. Other possible antineoplastic activities of this agent include suppression of tumor angiogenesis and tumor growth-promoting insulin-like growth factor 1 (IGF-1). (NCI04)
| CAS Number | 135467-16-2 |
| PubChem CID | 44194024 |
| IUPAC Name | (4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide;4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid |
| Molecular Formula | C72H82N10O16S2 |
| Molecular Weight | 1407.6 |
| Topological Polar Surface Area | 498 |
| Hydrogen Bond Donor Count | 17 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 21 |
| Heavy Atom Count | 100 |
| Formal Charge | 0 |
| Complexity | 2310 |
| Property | Value |
|---|---|
| Molecular Weight | 1407.6 |
| Hydrogen Bond Donor Count | 17 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 21 |
| Exact Mass | 1406.53516891 |
| Monoisotopic Mass | 1406.53516891 |
| Topological Polar Surface Area | 498 Ų |
| Heavy Atom Count | 100 |
| Formal Charge | 0 |
| Complexity | 2310 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
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