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Substance Name: Pasireotide acetate
RN: 396091-76-2
UNII: 662X0VFR9L
InChIKey: WFKFNBBHVLMWQH-QKXVGOHISA-N

Molecular Formula

  • C58-H66-N10-O9.C2-H4-O2

Molecular Weight

  • 1107.272
 
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Names and Synonyms

Name of Substance

  • Pasireotide acetate

Synonyms

  • Cyclo((2S)-2-phenylglycyl-D-tryptophyl-L-lysyl-O-(phenylmethyl)-L-tyrosyl-L-phenylalanyl-(4R)-4-((((2-aminoethyl)amino)carbonyl)oxy)-L-prolyl), monoacetate
  • Pasireotide acetate
  • Pasireotide acetate salt [MI]
  • UNII-662X0VFR9L

Registry Numbers

CAS Registry Number

  • 396091-76-2

FDA UNII

  • 662X0VFR9L

System Generated Number

  • 0396091762

Structure Descriptors

InChI

1S/C58H66N10O9.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t43-,46+,47+,48-,49+,50+,51+;/m1./s1

InChIKey

WFKFNBBHVLMWQH-QKXVGOHISA-N

Smiles

CC(=O)O.c1ccc(cc1)C[C@H]2C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)Cc4ccc(cc4)OCc5ccccc5)CCCCN)Cc6c[nH]c7c6cccc7)c8ccccc8)OC(=O)NCCN