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Substance Name: Pasireotide diaspartate
RN: 820232-50-6
UNII: I4P76SY3N4
InChIKey: NEEFMPSSNFRRNC-HQUONIRXSA-N

Molecular Formula

  • C58-H66-N10-O9.2C4-H7-N-O4

Molecular Weight

  • 1313.425
 
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Names and Synonyms

Name of Substance

  • Pasireotide diaspartate

Synonyms

  • Cyclo((2R)-2-phenylglycyl-d-tryptophyl-l-lysyl-o-(phenylmethyl)-l-tyrosyl-l-phenylalanyl-(4R)-4-((((2-aminoethyl)amino)carbonyl)oxy)-l-prolyl), l-aspartate (1:2)
  • Pasireotide diaspartate
  • Pasireotide diaspartate [EMA EPAR]
  • Signifor
  • UNII-I4P76SY3N4

Registry Numbers

CAS Registry Number

  • 820232-50-6

FDA UNII

  • I4P76SY3N4

System Generated Number

  • 0820232506

Structure Descriptors

InChI

InChI=1S/C58H66N10O9.2C4H7NO4/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;2*5-2(4(8)9)1-3(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);2*2H,1,5H2,(H,6,7)(H,8,9)/t43-,46+,47+,48-,49+,50+,51+;2*2-/m100/s1

InChIKey

NEEFMPSSNFRRNC-HQUONIRXSA-N

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.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CC(=O)O)C(=O)O