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Substance Name: Bortezomib boronic anhydride
RN: 390800-88-1
UNII: 264LX948L0
InChIKey: YVBHFXUJMLXLKP-INZJBPCBSA-N

Molecular Formula

  • C57-H69-B3-N12-O9

Molecular Weight

  • 1098.6801
 
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Names and Synonyms

Name of Substance

  • Bortezomib boronic anhydride

Synonyms

  • 2-Pyrazinecarboxamide, N,N',N''-(2,4,6-boroxintriyltris(((1R)-3-methylbutylidene)imino((1S)-2-oxo-1-(phenylmethyl)-2,1-ethanediyl)))tris-
  • Bortezomib boronic anhydride
  • N,N',N''-((2S,2'S,2''S)-(((1R,1'R,1''R)-(1,3,5,2,4,6-Trioxatriborinane-2,4,6-triyl)tris(3-methylbutane-1,1-diyl))tris(azanediyl))tris(1-oxo-3-phenylpropane-1,2-diyl))tris(pyrazine-2-carboxamide)
  • Pyrazinecarboxamide, N,N',N''-(2,4,6-boroxintriyltris(((1R)-3-methylbutylidene)imino((1S)-2-oxo-1-(phenylmethyl)-2,1-ethanediyl)))tris-
  • UNII-264LX948L0

Registry Numbers

CAS Registry Number

  • 390800-88-1

FDA UNII

  • 264LX948L0

System Generated Number

  • 0390800881

Structure Descriptors

InChI

1S/C57H69B3N12O9/c1-37(2)28-49(70-52(73)43(31-40-16-10-7-11-17-40)67-55(76)46-34-61-22-25-64-46)58-79-59(50(29-38(3)4)71-53(74)44(32-41-18-12-8-13-19-41)68-56(77)47-35-62-23-26-65-47)81-60(80-58)51(30-39(5)6)72-54(75)45(33-42-20-14-9-15-21-42)69-57(78)48-36-63-24-27-66-48/h7-27,34-39,43-45,49-51H,28-33H2,1-6H3,(H,67,76)(H,68,77)(H,69,78)(H,70,73)(H,71,74)(H,72,75)/t43-,44-,45-,49-,50-,51-/m0/s1

InChIKey

YVBHFXUJMLXLKP-INZJBPCBSA-N

Smiles

B1(OB(OB(O1)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3cnccn3)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)c5cnccn5)[C@H](CC(C)C)NC(=O)[C@H](Cc6ccccc6)NC(=O)c7cnccn7