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Details

Stereochemistry RACEMIC
Molecular Formula C22H28O2S2
Molecular Weight 388.587
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEVIMISTAT

SMILES

OC(=O)CCCCC(CCSCC1=CC=CC=C1)SCC2=CC=CC=C2

InChI

InChIKey=ZYRLHJIMTROTBO-UHFFFAOYSA-N
InChI=1S/C22H28O2S2/c23-22(24)14-8-7-13-21(26-18-20-11-5-2-6-12-20)15-16-25-17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13-18H2,(H,23,24)

HIDE SMILES / InChI
Molecular Formula C22H28O2S2
Molecular Weight 388.587
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:23:41 UTC 2023
Edited
by admin
on Fri Dec 15 16:23:41 UTC 2023
Record UNII
E76113IR49
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEVIMISTAT
INN  
Official Name English
devimistat [INN]
Common Name English
OCTANOIC ACID, 6,8-BIS((PHENYLMETHYL)THIO)-
Common Name English
RAC-(6R)-6,8-BIS(BENZYLSULFANYL)OCTANOIC ACID
Systematic Name English
6,8-BIS-BENZYLSULFANYL-OCTANOIC ACID
Systematic Name English
Devimistat [WHO-DD]
Common Name English
CPI-613
Code English
(±)-6,8-BIS(BENZYLTHIO)OCTANOIC ACID
Systematic Name English
6,8-BIS(BENZYLTHIO)OCTANOIC ACID, (±)-
Common Name English
CPI613
Code English
6,8-BIS(BENZYLTHIO)OCTANOIC ACID
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 216505
Created by admin on Fri Dec 15 16:23:41 UTC 2023 , Edited by admin on Fri Dec 15 16:23:41 UTC 2023
FDA ORPHAN DRUG 621617
Created by admin on Fri Dec 15 16:23:41 UTC 2023 , Edited by admin on Fri Dec 15 16:23:41 UTC 2023
FDA ORPHAN DRUG 349911
Created by admin on Fri Dec 15 16:23:41 UTC 2023 , Edited by admin on Fri Dec 15 16:23:41 UTC 2023
FDA ORPHAN DRUG 406813
Created by admin on Fri Dec 15 16:23:41 UTC 2023 , Edited by admin on Fri Dec 15 16:23:41 UTC 2023
FDA ORPHAN DRUG 623117
Created by admin on Fri Dec 15 16:23:41 UTC 2023 , Edited by admin on Fri Dec 15 16:23:41 UTC 2023
NCI_THESAURUS C275
Created by admin on Fri Dec 15 16:23:41 UTC 2023 , Edited by admin on Fri Dec 15 16:23:41 UTC 2023
FDA ORPHAN DRUG 808021
Created by admin on Fri Dec 15 16:23:41 UTC 2023 , Edited by admin on Fri Dec 15 16:23:41 UTC 2023
FDA ORPHAN DRUG 777920
Created by admin on Fri Dec 15 16:23:41 UTC 2023 , Edited by admin on Fri Dec 15 16:23:41 UTC 2023
EU-Orphan Drug EU/3/18/2123
Created by admin on Fri Dec 15 16:23:41 UTC 2023 , Edited by admin on Fri Dec 15 16:23:41 UTC 2023
Code System Code Type Description
INN
10951
Created by admin on Fri Dec 15 16:23:41 UTC 2023 , Edited by admin on Fri Dec 15 16:23:41 UTC 2023
PRIMARY
DRUG BANK
DB12109
Created by admin on Fri Dec 15 16:23:41 UTC 2023 , Edited by admin on Fri Dec 15 16:23:41 UTC 2023
PRIMARY
WIKIPEDIA
Devimistat
Created by admin on Fri Dec 15 16:23:41 UTC 2023 , Edited by admin on Fri Dec 15 16:23:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID70914807
Created by admin on Fri Dec 15 16:23:41 UTC 2023 , Edited by admin on Fri Dec 15 16:23:41 UTC 2023
PRIMARY
EVMPD
SUB187819
Created by admin on Fri Dec 15 16:23:41 UTC 2023 , Edited by admin on Fri Dec 15 16:23:41 UTC 2023
PRIMARY
CAS
95809-78-2
Created by admin on Fri Dec 15 16:23:41 UTC 2023 , Edited by admin on Fri Dec 15 16:23:41 UTC 2023
PRIMARY
SMS_ID
100000174193
Created by admin on Fri Dec 15 16:23:41 UTC 2023 , Edited by admin on Fri Dec 15 16:23:41 UTC 2023
PRIMARY
FDA UNII
E76113IR49
Created by admin on Fri Dec 15 16:23:41 UTC 2023 , Edited by admin on Fri Dec 15 16:23:41 UTC 2023
PRIMARY
NCI_THESAURUS
C80039
Created by admin on Fri Dec 15 16:23:41 UTC 2023 , Edited by admin on Fri Dec 15 16:23:41 UTC 2023
PRIMARY
PUBCHEM
24770514
Created by admin on Fri Dec 15 16:23:41 UTC 2023 , Edited by admin on Fri Dec 15 16:23:41 UTC 2023
PRIMARY
Related Record Type Details
Structure of Arlipoic acid
PARENT -> DERIVATIVE
Related Record Type Details
Structure of DEVIMISTAT
ACTIVE MOIETY
NIH
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