Chemical Compound

Pasireotide acetate

CAS Registry Number 396091-76-2
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Pasireotide acetate chemical structure
Primary Record

Pasireotide acetate

In stock
581 g
Purity
99.4 %
CAS
396091-76-2

Compound Identifiers & Properties

CAS
396091-76-2
PubChem CID
167995186
SMILES
CC(=O)O.C1C(CN2C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(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
CC(=O)O.NCCCCC1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(c2ccccc2)NC(=O)C2CC(OC(=O)NCCN)CN2C(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(OCc3ccccc3)cc2)NC1=O

Names & Synonyms

  • Pasireotide acetate
  • SCHEMBL27105831
  • 396091-76-2
  • acetic acid compound with (E)-(1Z,3S,4Z,6R,7Z,9S,10Z,12S,13Z,15S,19R,20aS)-6-((1H-indol-3-yl)methyl)-9-(4-aminobutyl)-15-benzyl-12-(4-(benzyloxy)benzyl)-1,4,7,10,13-pentahydroxy-16-oxo-3-phenyl-3,6,9,12,15,16,18,19,20,20a-decahydropyrrolo[1,2-a][1,4,7,10,