Octreotide Acetate
Product Code
TRC-O239950
CAS Number
Product Format
Neat
Molecular Formula
C49 H66 N10 O10 S2 . C2 H4 O2
Molecular Weight
1079.29
Product Categories
Pharmaceutical Reference Standards, TRC, Amino acids, API Reference Standards & Research Materials, Additional Neuro Products
Product Type
APIAlternate CAS Number
Price and availability
Documentation
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Product Information
Product Data
Analyte Name
Octreotide Acetate
CAS Number
79517-01-4
Molecular Formula
C49 H66 N10 O10 S2 . C2 H4 O2
Molecular Weight
1079.29
Accurate Mass
1078.4616
SMILES
C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1.CC(=O)O
InChI
1-2(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), /m1./s1, 1H3,(H,3,4)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+, InChI=1S/C49H66N10O10S2.C2H4O2/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
IUPAC
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
Alternate CAS Number
83150-76-9
Storage & Transport Information
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Type
API
Product Format
Neat
API Family
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