Octreotide hydrochloride
(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;dihydrochloride
Molecular Identity
Octreotide hydrochloride
(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;dihydrochloride
PubChem CID: 91617941
2D Structure
Properties
C49H68Cl2N10O10S2
Molecular Formula
1092.20
Molecular Weight
g/mol
1090.3938
Exact Mass
Da
383
TPSA
May have limited oral absorption
15
H-Bond Donors
14
H-Bond Acceptors
1740
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Octreotide hydrochlorideOctreotide dihydrochlorideOctreotide hydrochloride, (-)-Octreotide hydrochloride [USAN]1607842-55-6UNII-H92K6Q47Q9SMS995-AAASMS-995-AAACAM2029CAM-2029L-Cysteinamide, D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-, cyclic (2->7)-disulfide, hydrochloride (1:2)OCTREOTIDE HYDROCHLORIDE [WHO-DD]Octreotide hydrochloride (USAN)RefChem:167858Octreotide HCl
Data from PubChem (NCBI)
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