U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H12N2O2
Molecular Weight 264.2793
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NELUXICAPONE

SMILES

Cc1ccc(cc1)Cc2c(cc(c(c2C#N)O)O)C#N

InChI

InChIKey=GILLLKMLIBNDKV-UHFFFAOYSA-N
InChI=1S/C16H12N2O2/c1-10-2-4-11(5-3-10)6-13-12(8-17)7-15(19)16(20)14(13)9-18/h2-5,7,19-20H,6H2,1H3

HIDE SMILES / InChI

Molecular Formula C16H12N2O2
Molecular Weight 264.2793
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 Sat Jun 26 12:45:25 UTC 2021
Edited
by admin
on Sat Jun 26 12:45:25 UTC 2021
Record UNII
ZO0K3RUH9L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NELUXICAPONE
INN  
Official Name English
1,3-BENZENEDICARBONITRILE, 4,5-DIHYDROXY-2-((4-METHYLPHENYL)METHYL)-
Systematic Name English
NELUXICAPONE [INN]
Common Name English
Code System Code Type Description
CAS
1498323-18-4
Created by admin on Sat Jun 26 12:45:25 UTC 2021 , Edited by admin on Sat Jun 26 12:45:25 UTC 2021
PRIMARY
NCI_THESAURUS
C174953
Created by admin on Sat Jun 26 12:45:25 UTC 2021 , Edited by admin on Sat Jun 26 12:45:25 UTC 2021
PRIMARY
FDA UNII
ZO0K3RUH9L
Created by admin on Sat Jun 26 12:45:25 UTC 2021 , Edited by admin on Sat Jun 26 12:45:25 UTC 2021
PRIMARY
INN
10816
Created by admin on Sat Jun 26 12:45:25 UTC 2021 , Edited by admin on Sat Jun 26 12:45:25 UTC 2021
PRIMARY
PUBCHEM
90015465
Created by admin on Sat Jun 26 12:45:25 UTC 2021 , Edited by admin on Sat Jun 26 12:45:25 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY