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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H19ClN4O3
Molecular Weight 446.886
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NICAFENINE

SMILES

ClC1=CC2=C(C=C1)C(NC3=C(C=CC=C3)C(=O)OCCNC(=O)C4=CC=CN=C4)=CC=N2

InChI

InChIKey=XHMFPDMOPBXSDM-UHFFFAOYSA-N
InChI=1S/C24H19ClN4O3/c25-17-7-8-18-21(9-11-27-22(18)14-17)29-20-6-2-1-5-19(20)24(31)32-13-12-28-23(30)16-4-3-10-26-15-16/h1-11,14-15H,12-13H2,(H,27,29)(H,28,30)

HIDE SMILES / InChI

Molecular Formula C24H19ClN4O3
Molecular Weight 446.886
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

PubMed

PubMed

TitleDatePubMed
Nicafenine, a new analgesic. I. Synthesis and physicochemical properties.
1979
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:18:52 GMT 2023
Edited
by admin
on Fri Dec 15 16:18:52 GMT 2023
Record UNII
F1DZD948G6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NICAFENINE
INN  
INN  
Official Name English
nicafenine [INN]
Common Name English
N-(7-CHLORO-4-QUINOLYL)ANTHRANILIC ACID ESTER WITH N-(2-HYDROXYETHYL)NICOTINAMIDE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C241
Created by admin on Fri Dec 15 16:18:53 GMT 2023 , Edited by admin on Fri Dec 15 16:18:53 GMT 2023
Code System Code Type Description
FDA UNII
F1DZD948G6
Created by admin on Fri Dec 15 16:18:53 GMT 2023 , Edited by admin on Fri Dec 15 16:18:53 GMT 2023
PRIMARY
SMS_ID
100000084184
Created by admin on Fri Dec 15 16:18:53 GMT 2023 , Edited by admin on Fri Dec 15 16:18:53 GMT 2023
PRIMARY
PUBCHEM
68831
Created by admin on Fri Dec 15 16:18:53 GMT 2023 , Edited by admin on Fri Dec 15 16:18:53 GMT 2023
PRIMARY
EVMPD
SUB09220MIG
Created by admin on Fri Dec 15 16:18:53 GMT 2023 , Edited by admin on Fri Dec 15 16:18:53 GMT 2023
PRIMARY
MESH
C023803
Created by admin on Fri Dec 15 16:18:53 GMT 2023 , Edited by admin on Fri Dec 15 16:18:53 GMT 2023
PRIMARY
INN
4534
Created by admin on Fri Dec 15 16:18:53 GMT 2023 , Edited by admin on Fri Dec 15 16:18:53 GMT 2023
PRIMARY
ChEMBL
CHEMBL2107151
Created by admin on Fri Dec 15 16:18:53 GMT 2023 , Edited by admin on Fri Dec 15 16:18:53 GMT 2023
PRIMARY
CAS
64039-88-9
Created by admin on Fri Dec 15 16:18:53 GMT 2023 , Edited by admin on Fri Dec 15 16:18:53 GMT 2023
PRIMARY
NCI_THESAURUS
C75069
Created by admin on Fri Dec 15 16:18:53 GMT 2023 , Edited by admin on Fri Dec 15 16:18:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID00214084
Created by admin on Fri Dec 15 16:18:53 GMT 2023 , Edited by admin on Fri Dec 15 16:18:53 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY