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Details

Stereochemistry ACHIRAL
Molecular Formula C18H24N2O2S
Molecular Weight 332.46
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DARBUFELONE

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)\C=C2/SC(=N)NC2=O

InChI

InChIKey=AKTXOQVMWSFEBQ-LCYFTJDESA-N
InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13/h7-9,21H,1-6H3,(H2,19,20,22)/b13-9-

HIDE SMILES / InChI

Molecular Formula C18H24N2O2S
Molecular Weight 332.46
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:18:39 UTC 2023
Edited
by admin
on Fri Dec 15 16:18:39 UTC 2023
Record UNII
72H8H6K34C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DARBUFELONE
INN  
INN  
Official Name English
darbufelone [INN]
Common Name English
(Z)-2-AMINO-5-((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)METHYLENE)-4(5H)-THIAZOLONE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C1323
Created by admin on Fri Dec 15 16:18:39 UTC 2023 , Edited by admin on Fri Dec 15 16:18:39 UTC 2023
Code System Code Type Description
EVMPD
SUB26843
Created by admin on Fri Dec 15 16:18:39 UTC 2023 , Edited by admin on Fri Dec 15 16:18:39 UTC 2023
PRIMARY
INN
7785
Created by admin on Fri Dec 15 16:18:39 UTC 2023 , Edited by admin on Fri Dec 15 16:18:39 UTC 2023
PRIMARY
FDA UNII
72H8H6K34C
Created by admin on Fri Dec 15 16:18:39 UTC 2023 , Edited by admin on Fri Dec 15 16:18:39 UTC 2023
PRIMARY
MESH
C109268
Created by admin on Fri Dec 15 16:18:39 UTC 2023 , Edited by admin on Fri Dec 15 16:18:39 UTC 2023
PRIMARY
SMS_ID
100000091578
Created by admin on Fri Dec 15 16:18:39 UTC 2023 , Edited by admin on Fri Dec 15 16:18:39 UTC 2023
PRIMARY
NCI_THESAURUS
C81061
Created by admin on Fri Dec 15 16:18:39 UTC 2023 , Edited by admin on Fri Dec 15 16:18:39 UTC 2023
PRIMARY
ChEMBL
CHEMBL275835
Created by admin on Fri Dec 15 16:18:39 UTC 2023 , Edited by admin on Fri Dec 15 16:18:39 UTC 2023
PRIMARY
CAS
139226-28-1
Created by admin on Fri Dec 15 16:18:39 UTC 2023 , Edited by admin on Fri Dec 15 16:18:39 UTC 2023
PRIMARY
EPA CompTox
DTXSID5047247
Created by admin on Fri Dec 15 16:18:39 UTC 2023 , Edited by admin on Fri Dec 15 16:18:39 UTC 2023
PRIMARY
PUBCHEM
6444826
Created by admin on Fri Dec 15 16:18:39 UTC 2023 , Edited by admin on Fri Dec 15 16:18:39 UTC 2023
PRIMARY
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SALT/SOLVATE -> PARENT
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ACTIVE MOIETY