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

Details

Stereochemistry RACEMIC
Molecular Formula C17H21N3O2
Molecular Weight 299.3675
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NICOGRELATE

SMILES

CCCCCC(OC(=O)C1=CC=CN=C1)\C=C\N2C=CN=C2

InChI

InChIKey=KDFWKXZFYSRQSX-DHZHZOJOSA-N
InChI=1S/C17H21N3O2/c1-2-3-4-7-16(8-11-20-12-10-19-14-20)22-17(21)15-6-5-9-18-13-15/h5-6,8-14,16H,2-4,7H2,1H3/b11-8+

HIDE SMILES / InChI
Patents
Name Type Language
NICOGRELATE
INN  
INN  
Official Name English
(±)-(E)-3-IMIDAZOL-1-YL-1-PENTYLALLYL NICOTINATE
Systematic Name English
nicogrelate [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1327
Created by admin on Fri Dec 15 15:41:56 GMT 2023 , Edited by admin on Fri Dec 15 15:41:56 GMT 2023
Code System Code Type Description
FDA UNII
DW310SVK6Q
Created by admin on Fri Dec 15 15:41:56 GMT 2023 , Edited by admin on Fri Dec 15 15:41:56 GMT 2023
PRIMARY
EVMPD
SUB09239MIG
Created by admin on Fri Dec 15 15:41:56 GMT 2023 , Edited by admin on Fri Dec 15 15:41:56 GMT 2023
PRIMARY
SMS_ID
100000084396
Created by admin on Fri Dec 15 15:41:56 GMT 2023 , Edited by admin on Fri Dec 15 15:41:56 GMT 2023
PRIMARY
INN
5251
Created by admin on Fri Dec 15 15:41:56 GMT 2023 , Edited by admin on Fri Dec 15 15:41:56 GMT 2023
PRIMARY
CAS
80614-21-7
Created by admin on Fri Dec 15 15:41:56 GMT 2023 , Edited by admin on Fri Dec 15 15:41:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID101024654
Created by admin on Fri Dec 15 15:41:56 GMT 2023 , Edited by admin on Fri Dec 15 15:41:56 GMT 2023
PRIMARY
NCI_THESAURUS
C76399
Created by admin on Fri Dec 15 15:41:56 GMT 2023 , Edited by admin on Fri Dec 15 15:41:56 GMT 2023
PRIMARY
PUBCHEM
6441133
Created by admin on Fri Dec 15 15:41:56 GMT 2023 , Edited by admin on Fri Dec 15 15:41:56 GMT 2023
PRIMARY
ChEMBL
CHEMBL2104720
Created by admin on Fri Dec 15 15:41:56 GMT 2023 , Edited by admin on Fri Dec 15 15:41:56 GMT 2023
PRIMARY