Pasireotide TFA Salt
Product Code
TRC-P211010
Product Format
Neat
Molecular Formula
C58 H66 N10 O9 . X C2 H F3 O2
Molecular Weight
1047.21
API Family
PasireotideProduct Categories
Product Type
ImpurityPrice and availability
Documentation
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Product Information
Product Data
Analyte Name
Pasireotide trifluoroacetate salt
Molecular Formula
C58 H66 N10 O9 . X C2 H F3 O2
Molecular Weight
1047.21
Accurate Mass
1046.5014
SMILES
NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](Cc6ccc(OCc7ccccc7)cc6)NC1=O)OC(=O)NCCN)c8ccccc8.OC(=O)C(F)(F)F
InChI
InChI=1S/C58H66N10O9.C2HF3O2/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45;3-2(4,5)1(6)7/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72);(H,6,7)/t43-,46+,47+,48-,49+,50+,51+;/m1./s1
IUPAC
[(3S,6S,9S,12R,15S,18S,20R)-9-(4-aminobutyl)-3-benzyl-6-[(4-benzyloxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-phenyl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(2-aminoethyl)carbamate;2,2,2-trifluoroacetic acid
Storage & Transport Information
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Type
Impurity
Product Format
Neat
API Family
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