Products 820232-50-6

CAS 820232-50-6 appears in our catalog under these names: Pasireotide Aspartate, Pasireotide (aspartate), Parireotide diaspartate, (2R)-Pasireotide (diaspartate). Offered by: Chemat Brand, GLPBio, Biosynth, MedChemExpress. Available pack sizes: on request, 1mg, 10mg, 5mg, 25mg, 50mg, Get quote.

Structural formula: {0} (CAS {1})

Pasireotide aspartate is an aspartate salt that is the diaspartate salt of pasireotide. A somatostatin analogue with pharmacologic properties mimicking those of the natural hormone somatostatin; used for treatment of Cushing's disease. It has a role as an antineoplastic agent and a prodrug. It contains a pasireotide(2+).

Source: ChEBI

Identity
Molecular formulaC66H80N12O17
Molecular weight1313.4 g/mol
IUPAC namebis((2S)-2-aminobutanedioic acid);[(3S,6S,9S,12R,15S,18S,20R)-9-(4-aminobutyl)-3-benzyl-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-phenyl-6-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(2-aminoethyl)carbamate
InChIKeyNEEFMPSSNFRRNC-HQUONIRXSA-N
SMILESC1[C@H](CN2[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C2=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5)CCCCN)CC6=CNC7=CC=CC=C76)C8=CC=CC=C8)OC(=O)NCCN.C([C@@H](C(=O)O)N)C(=O)O.C([C@@H](C(=O)O)N)C(=O)O

Computed by PubChem (NCBI)