Octreotide Acetate
acetic acid;(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
Molecular Identity
Octreotide Acetate
acetic acid;(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
PubChem CID: 155804637
2D Structure
Properties
C53H74N10O14S2
Molecular Formula
1139.30
Molecular Weight
g/mol
1138.4827
Exact Mass
Da
457
TPSA
May have limited oral absorption
15
H-Bond Donors
18
H-Bond Acceptors
1780
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=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CO)C(C)O)O.CC(=O)O.CC(=O)OIsomeric 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=CC=C4)NC(=O)[C@@H](CC5=CC=CC=C5)N)C(=O)N[C@H](CO)[C@@H](C)O)O.CC(=O)O.CC(=O)OSynonyms(20)
Octreotide acetate79517-01-4SandostatinOctreolinBYNFEZIAOctreotide (as acetate)SMS-201995-ACLongastatinLongastatinaSandostatineSMS-201-995 AC75R0U2568ISandostatin LARSMS 201-995 ACSandostatin LAR Depot
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Octreotide Acetate
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