2,5-Dichloro-N-[2-[[(1R)-1-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]amino]-2-oxoethyl]benzamide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H33BCl2N2O4
Molecular Weight	495.247
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,5-Dichloro-N-[2-[[(1R)-1-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]amino]-2-oxoethyl]benzamide

Structure Search

SMILES

[H][C@@]12C[C@@]([H])(C1(C)C)[C@]3(C)OB(O[C@]3([H])C2)[C@H](CC(C)C)NC(=O)CNC(=O)C4=C(Cl)C=CC(Cl)=C4

InChI

InChIKey=CGUIBVMGUKXODV-OPKBTAHXSA-N

InChI=1S/C24H33BCl2N2O4/c1-13(2)8-20(25-32-19-10-14-9-18(23(14,3)4)24(19,5)33-25)29-21(30)12-28-22(31)16-11-15(26)6-7-17(16)27/h6-7,11,13-14,18-20H,8-10,12H2,1-5H3,(H,28,31)(H,29,30)/t14-,18-,19+,20-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H33BCl2N2O4
Molecular Weight	495.247
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:52:06 UTC 2023` Edited by `admin` on `Sat Dec 16 19:52:06 UTC 2023`
Record UNII	Y4Q5UL8FVU
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2,5-Dichloro-N-[2-[[(1R)-1-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]amino]-2-oxoethyl]benzamide

Systematic Name

English

Ixazomib Impurity 1

Common Name

English

2,5-Dichloro-N-[2-[[(1R)-1-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]amino]-2-oxoethyl]-benzamide

Systematic Name

English

Benzamide, 2,5-dichloro-N-[2-[[(1R)-1-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]amino]-2-oxoethyl]-

Systematic Name

English

Code System Code Type Description

CAS

1201903-02-7

Created by admin on Sat Dec 16 19:52:06 UTC 2023 , Edited by admin on Sat Dec 16 19:52:06 UTC 2023

PRIMARY

FDA UNII

Y4Q5UL8FVU

Created by admin on Sat Dec 16 19:52:06 UTC 2023 , Edited by admin on Sat Dec 16 19:52:06 UTC 2023

PRIMARY

PUBCHEM

69037110

Created by admin on Sat Dec 16 19:52:06 UTC 2023 , Edited by admin on Sat Dec 16 19:52:06 UTC 2023

PRIMARY