Octreotide xAcetate
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 xAcetate
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: 6917964
2D Structure
Properties
C51H70N10O12S2
Molecular Formula
1079.30
Molecular Weight
g/mol
1078.4616
Exact Mass
Da
420
TPSA
May have limited oral absorption
14
H-Bond Donors
16
H-Bond Acceptors
1780
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Octreotide xAcetateOctreotide (acetate)MFCD08277638Octreotide CRSLongastatina;Samilstin;Octeotride SDIOctreotide LARLongastatina LAROCTREOIDE ACETATEOctreotide Acetate DepotNSC-685403D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (2->7)-disulfide acetate (salt)D-Phenylalanyl-L-hemicystyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-L-hemicystyl-L-threoninol cyclic (2->7)-disulfide acetate (salt)CCRIS 8708
Data from PubChem (NCBI)
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