Octreotide Acetate

Catalog NumberCDMO0008

CategoryGeneric Peptides Active Pharmaceutical Ingredients (APIs)

Synonyms	Octreolin
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
Molecular Weight	1139.30
Molecular Formula	C53H74N10O14S2
Canonical 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)O
InChI	InChI=1S/C49H66N10O10S2.2C2H4O2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41;21-2(3)4/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64);21H3,(H,3,4)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+;;/m1../s1
InChI Key	QWFYIFWTVZFPRY-LODIGNQBSA-N
Purity	HPLC ≥98.0%
Storage	Store at -20 °C
CEP/DMF/GMP	36322
Grade	N (Normal)
Size	1 g; 5 g; 25 g

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