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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H11NO2
Molecular Weight 213.2319
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYL NICOTINATE

SMILES

O=C(OCC1=CC=CC=C1)C2=CN=CC=C2

InChI

InChIKey=KVYGGMBOZFWZBQ-UHFFFAOYSA-N
InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2

HIDE SMILES / InChI

Approval Year

Name Type Language
BENZYL NICOTINATE
INCI   JAN   MART.   WHO-DD  
INCI  
Official Name English
NICOTINIC ACID BENZYL ESTER [MI]
Common Name English
BENZYL NICOTINATE [INCI]
Common Name English
BENZYL NICOTINATE [JAN]
Common Name English
Benzyl nicotinate [WHO-DD]
Common Name English
BENZYL NICOTINATE [MART.]
Common Name English
NICOTINIC ACID BENZYL ESTER
MI  
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C29707
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
Code System Code Type Description
RXCUI
31767
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY RxNorm
MESH
C025653
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
NCI_THESAURUS
C83549
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
DRUG CENTRAL
3379
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
CAS
94-44-0
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
SMS_ID
100000092407
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
EPA CompTox
DTXSID7046542
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
PUBCHEM
7191
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
EVMPD
SUB13026MIG
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
ChEMBL
CHEMBL209744
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
CHEBI
31268
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
FDA UNII
S497LCF9C9
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
DAILYMED
S497LCF9C9
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
MERCK INDEX
m7881
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
202-332-3
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY