Ixazomib citrate

CAS Registry Number®

1239908-20-3
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CAS Name

Ixazomib citrate

Molecular Formula

C20H23BCl2N2O9

Molecular Mass

517.12

Cite this Page

Ixazomib citrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1239908-20-3 (retrieved 2024-04-25) (CAS RN: 1239908-20-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-19(32)20(34-21,7-16(27)28)8-17(29)30)25-15(26)9-24-18(31)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,31)(H,25,26)(H,27,28)(H,29,30)/t14-/m0/s1

InChIKey

InChIKey=MBOMYENWWXQSNW-AWEZNQCLSA-N

SMILES

C(C(O)=O)C1(CC(O)=O)OB([C@@H](NC(CNC(=O)C2=C(Cl)C=CC(Cl)=C2)=O)CC(C)C)OC1=O

Canonical SMILES

O=C(O)CC1(OB(OC1=O)C(NC(=O)CNC(=O)C2=CC(Cl)=CC=C2Cl)CC(C)C)CC(=O)O

Other Names for this Substance

  • 1,3,2-Dioxaborolane-4,4-diacetic acid, 2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-5-oxo-
  • 2-[(1R)-1-[[2-[(2,5-Dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-5-oxo-1,3,2-dioxaborolane-4,4-diacetic acid
  • Ixazomib citrate
  • MLN 9708
  • (R)-2,2′-(2-(1-(2-(2,5-Dichlorobenzamido)acetamido)-3-methylbutyl)-5-oxo-1,3,2-dioxaborolane-4,4-diyl)diacetic acid

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