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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H43NO4
Molecular Weight 505.6881
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BARDOXOLONE METHYL

SMILES

[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]3(C)[C@]2([H])C(=O)C=C4[C@@]3(C)CC[C@@]5([H])C(C)(C)C(=O)C(=C[C@]45C)C#N)C(=O)OC

InChI

InChIKey=WPTTVJLTNAWYAO-KPOXMGGZSA-N
InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,29-,30+,31+,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula C32H43NO4
Molecular Weight 505.6881
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:15:46 UTC 2023
Edited
by admin
on Fri Dec 15 16:15:46 UTC 2023
Record UNII
CEG1Q6OGU1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BARDOXOLONE METHYL
USAN   WHO-DD  
USAN  
Official Name English
BARDOXOLONE METHYL ESTER [MI]
Common Name English
RTA-402
Code English
BARDOXOLONE METHYL [USAN]
Common Name English
Methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate
Common Name English
Bardoxolone methyl [WHO-DD]
Common Name English
CDDO-METHYL ESTER
Code English
NSC-713200
Code English
RTA402
Code English
BARDOXOLONE METHYL [JAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29574
Created by admin on Fri Dec 15 16:15:46 UTC 2023 , Edited by admin on Fri Dec 15 16:15:46 UTC 2023
EU-Orphan Drug EU/3/18/2019
Created by admin on Fri Dec 15 16:15:46 UTC 2023 , Edited by admin on Fri Dec 15 16:15:46 UTC 2023
FDA ORPHAN DRUG 687219
Created by admin on Fri Dec 15 16:15:46 UTC 2023 , Edited by admin on Fri Dec 15 16:15:46 UTC 2023
FDA ORPHAN DRUG 568016
Created by admin on Fri Dec 15 16:15:46 UTC 2023 , Edited by admin on Fri Dec 15 16:15:46 UTC 2023
NCI_THESAURUS C1323
Created by admin on Fri Dec 15 16:15:46 UTC 2023 , Edited by admin on Fri Dec 15 16:15:46 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C98250
Created by admin on Fri Dec 15 16:15:46 UTC 2023 , Edited by admin on Fri Dec 15 16:15:46 UTC 2023
PRIMARY
NSC
713200
Created by admin on Fri Dec 15 16:15:46 UTC 2023 , Edited by admin on Fri Dec 15 16:15:46 UTC 2023
PRIMARY
PUBCHEM
400769
Created by admin on Fri Dec 15 16:15:46 UTC 2023 , Edited by admin on Fri Dec 15 16:15:46 UTC 2023
PRIMARY
CAS
218600-53-4
Created by admin on Fri Dec 15 16:15:46 UTC 2023 , Edited by admin on Fri Dec 15 16:15:46 UTC 2023
PRIMARY
USAN
TT-40
Created by admin on Fri Dec 15 16:15:46 UTC 2023 , Edited by admin on Fri Dec 15 16:15:46 UTC 2023
PRIMARY
ChEMBL
CHEMBL1762621
Created by admin on Fri Dec 15 16:15:46 UTC 2023 , Edited by admin on Fri Dec 15 16:15:46 UTC 2023
PRIMARY
WIKIPEDIA
BARDOXOLONE METHYL
Created by admin on Fri Dec 15 16:15:46 UTC 2023 , Edited by admin on Fri Dec 15 16:15:46 UTC 2023
PRIMARY
FDA UNII
CEG1Q6OGU1
Created by admin on Fri Dec 15 16:15:46 UTC 2023 , Edited by admin on Fri Dec 15 16:15:46 UTC 2023
PRIMARY
DRUG BANK
DB05983
Created by admin on Fri Dec 15 16:15:46 UTC 2023 , Edited by admin on Fri Dec 15 16:15:46 UTC 2023
PRIMARY
MERCK INDEX
m2229
Created by admin on Fri Dec 15 16:15:46 UTC 2023 , Edited by admin on Fri Dec 15 16:15:46 UTC 2023
PRIMARY Merck Index
SMS_ID
300000010624
Created by admin on Fri Dec 15 16:15:46 UTC 2023 , Edited by admin on Fri Dec 15 16:15:46 UTC 2023
PRIMARY
EPA CompTox
DTXSID5048764
Created by admin on Fri Dec 15 16:15:46 UTC 2023 , Edited by admin on Fri Dec 15 16:15:46 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> ACTIVATOR
Related Record Type Details
ACTIVE MOIETY