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Details

Stereochemistry EPIMERIC
Molecular Formula C20H23BCl2N2O9
Molecular Weight 517.122
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IXAZOMIB CITRATE 1,3,2-DIOXABORINANE

SMILES

CC(C)C[C@H](NC(=O)CNC(=O)C1=C(Cl)C=CC(Cl)=C1)B2OC(=O)CC(CC(O)=O)(O2)C(O)=O

InChI

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

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P28074|||Q86T01
Gene ID: 5693.0
Gene Symbol: PSMB5
Target Organism: Homo sapiens (Human)
5.0 nM [IC50]
Name Type Language
IXAZOMIB CITRATE 1,3,2-DIOXABORINANE
Common Name English
1,3,2-DIOXABORINANE-4-ACETIC ACID, 4-CARBOXY-2-((1R)-1-((2-((2,5-DICHLOROBENZOYL)AMINO)ACETYL)AMINO)-3-METHYLBUTYL)-6-OXO-
Common Name English
Code System Code Type Description
PUBCHEM
49867936
Created by admin on Fri Dec 15 19:17:00 GMT 2023 , Edited by admin on Fri Dec 15 19:17:00 GMT 2023
PRIMARY
FDA UNII
E8R04MBQ04
Created by admin on Fri Dec 15 19:17:00 GMT 2023 , Edited by admin on Fri Dec 15 19:17:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID10152721
Created by admin on Fri Dec 15 19:17:00 GMT 2023 , Edited by admin on Fri Dec 15 19:17:00 GMT 2023
PRIMARY
CAS
1201902-80-8
Created by admin on Fri Dec 15 19:17:00 GMT 2023 , Edited by admin on Fri Dec 15 19:17:00 GMT 2023
PRIMARY