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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H14N2O2
Molecular Weight 242.2732
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NIXYLIC ACID

SMILES

CC1=C(C)C(NC2=C(C=CC=N2)C(O)=O)=CC=C1

InChI

InChIKey=XEQIPELDMSEBJG-UHFFFAOYSA-N
InChI=1S/C14H14N2O2/c1-9-5-3-7-12(10(9)2)16-13-11(14(17)18)6-4-8-15-13/h3-8H,1-2H3,(H,15,16)(H,17,18)

HIDE SMILES / InChI
Name Type Language
NIXYLIC ACID
INN  
INN  
Official Name English
nixylic acid [INN]
Common Name English
UP 74
Code English
UP-74
Code English
2-(2,3-XYLIDINO)NICOTINIC ACID
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C257
Created by admin on Fri Dec 15 16:11:59 GMT 2023 , Edited by admin on Fri Dec 15 16:11:59 GMT 2023
Code System Code Type Description
SMS_ID
100000084145
Created by admin on Fri Dec 15 16:11:59 GMT 2023 , Edited by admin on Fri Dec 15 16:11:59 GMT 2023
PRIMARY
ECHA (EC/EINECS)
224-517-8
Created by admin on Fri Dec 15 16:11:59 GMT 2023 , Edited by admin on Fri Dec 15 16:11:59 GMT 2023
PRIMARY
CAS
4394-05-2
Created by admin on Fri Dec 15 16:11:59 GMT 2023 , Edited by admin on Fri Dec 15 16:11:59 GMT 2023
PRIMARY
EVMPD
SUB09334MIG
Created by admin on Fri Dec 15 16:11:59 GMT 2023 , Edited by admin on Fri Dec 15 16:11:59 GMT 2023
PRIMARY
INN
2193
Created by admin on Fri Dec 15 16:11:59 GMT 2023 , Edited by admin on Fri Dec 15 16:11:59 GMT 2023
PRIMARY
NCI_THESAURUS
C76809
Created by admin on Fri Dec 15 16:11:59 GMT 2023 , Edited by admin on Fri Dec 15 16:11:59 GMT 2023
PRIMARY
PUBCHEM
71827
Created by admin on Fri Dec 15 16:11:59 GMT 2023 , Edited by admin on Fri Dec 15 16:11:59 GMT 2023
PRIMARY
FDA UNII
1ZI8H16Z5I
Created by admin on Fri Dec 15 16:11:59 GMT 2023 , Edited by admin on Fri Dec 15 16:11:59 GMT 2023
PRIMARY
ChEMBL
CHEMBL1596113
Created by admin on Fri Dec 15 16:11:59 GMT 2023 , Edited by admin on Fri Dec 15 16:11:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID8045694
Created by admin on Fri Dec 15 16:11:59 GMT 2023 , Edited by admin on Fri Dec 15 16:11:59 GMT 2023
PRIMARY