Chemical Compound

Pasireotide

CAS Registry Number 396091-73-9
Pasireotide chemical structure
Primary Record

Pasireotide

In stock
8,517 g
Purity
98.3 %
CAS
396091-73-9

Compound Identifiers & Properties

CAS
396091-73-9
PubChem CID
165363357
SMILES
C1[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
Canonical SMILES
NCCCC[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O

Names & Synonyms

  • Pasireotide
  • Pasireotide Impurity 7
  • DTXSID501026040
  • (3S,6R,9R,12S,15S,19R,20aS)-6-((1H-indol-3-yl)methyl)-9-(4-aminobutyl)-15-benzyl-12-(4-(benzyloxy)benzyl)-1,4,7,10,13,16-hexaoxo-3-phenylicosahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecin-19-yl (2-aminoethyl)carbamate
  • 396091-73-9