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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H44F2N2O3
Molecular Weight 554.7109
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OMAVELOXOLONE

SMILES

[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]3(C)[C@]2([H])C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@]5([H])CC[C@@]34C)NC(=O)C(C)(F)F

InChI

InChIKey=RJCWBNBKOKFWNY-IDPLTSGASA-N
InChI=1S/C33H44F2N2O3/c1-27(2)11-13-33(37-26(40)32(8,34)35)14-12-31(7)24(20(33)17-27)21(38)15-23-29(5)16-19(18-36)25(39)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3,(H,37,40)/t20-,22-,24-,29-,30+,31+,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula C33H44F2N2O3
Molecular Weight 554.7109
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 Sat Dec 16 11:19:22 UTC 2023
Edited
by admin
on Sat Dec 16 11:19:22 UTC 2023
Record UNII
G69Z98951Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OMAVELOXOLONE
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
PROPANAMIDE, N-(2-CYANO-3,12-DIOXO-28-NOROLEANA-1,9(11)-DIEN-17-YL)-2,2-DIFLUORO-
Systematic Name English
SKYCLARYS
Brand Name English
OMAVELOXOLONE [USAN]
Common Name English
RTA 408
Code English
omaveloxolone [INN]
Common Name English
RTA-408
Code English
Omaveloxolone [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2080
Created by admin on Sat Dec 16 11:19:22 UTC 2023 , Edited by admin on Sat Dec 16 11:19:22 UTC 2023
FDA ORPHAN DRUG 461214
Created by admin on Sat Dec 16 11:19:22 UTC 2023 , Edited by admin on Sat Dec 16 11:19:22 UTC 2023
EU-Orphan Drug EU/3/18/2037
Created by admin on Sat Dec 16 11:19:22 UTC 2023 , Edited by admin on Sat Dec 16 11:19:22 UTC 2023
FDA ORPHAN DRUG 461114
Created by admin on Sat Dec 16 11:19:22 UTC 2023 , Edited by admin on Sat Dec 16 11:19:22 UTC 2023
Code System Code Type Description
FDA UNII
G69Z98951Q
Created by admin on Sat Dec 16 11:19:22 UTC 2023 , Edited by admin on Sat Dec 16 11:19:22 UTC 2023
PRIMARY
USAN
CD-116
Created by admin on Sat Dec 16 11:19:22 UTC 2023 , Edited by admin on Sat Dec 16 11:19:22 UTC 2023
PRIMARY
DRUG BANK
DB12513
Created by admin on Sat Dec 16 11:19:22 UTC 2023 , Edited by admin on Sat Dec 16 11:19:22 UTC 2023
PRIMARY
INN
10135
Created by admin on Sat Dec 16 11:19:22 UTC 2023 , Edited by admin on Sat Dec 16 11:19:22 UTC 2023
PRIMARY
CAS
1474034-05-3
Created by admin on Sat Dec 16 11:19:22 UTC 2023 , Edited by admin on Sat Dec 16 11:19:22 UTC 2023
PRIMARY
PUBCHEM
71811910
Created by admin on Sat Dec 16 11:19:22 UTC 2023 , Edited by admin on Sat Dec 16 11:19:22 UTC 2023
PRIMARY
EVMPD
SUB179300
Created by admin on Sat Dec 16 11:19:22 UTC 2023 , Edited by admin on Sat Dec 16 11:19:22 UTC 2023
PRIMARY
ChEMBL
CHEMBL3707273
Created by admin on Sat Dec 16 11:19:22 UTC 2023 , Edited by admin on Sat Dec 16 11:19:22 UTC 2023
PRIMARY
DAILYMED
G69Z98951Q
Created by admin on Sat Dec 16 11:19:22 UTC 2023 , Edited by admin on Sat Dec 16 11:19:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID101138251
Created by admin on Sat Dec 16 11:19:22 UTC 2023 , Edited by admin on Sat Dec 16 11:19:22 UTC 2023
PRIMARY
SMS_ID
100000164733
Created by admin on Sat Dec 16 11:19:22 UTC 2023 , Edited by admin on Sat Dec 16 11:19:22 UTC 2023
PRIMARY
NCI_THESAURUS
C113443
Created by admin on Sat Dec 16 11:19:22 UTC 2023 , Edited by admin on Sat Dec 16 11:19:22 UTC 2023
PRIMARY
WIKIPEDIA
RTA 408
Created by admin on Sat Dec 16 11:19:22 UTC 2023 , Edited by admin on Sat Dec 16 11:19:22 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> ACTIVATOR
TARGET -> INHIBITOR
suppresses activity
Related Record Type Details
ACTIVE MOIETY