Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.5
Substance Class Chemical
Record UNII
HFZ5FVU5MV
Record Status Validated (UNII)
Record Version
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Details

Stereochemistry ACHIRAL
Molecular Formula C22H23ClFN5O2
Molecular Weight 443.902
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0
Created by admin on Thu Mar 26 00:20:05 EDT 2020
Edited by admin on Thu Mar 26 00:20:05 EDT 2020
Structure of NEPTINIB

Systematic Names:

  • None recorded
  • {{name}}

SMILES

CCOC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1NC(=O)\C=C\CN(C)C

InChI

RTAAZCCTCLCXHX-AATRIKPKSA-N
InChI=1S/C22H23ClFN5O2/c1-4-31-20-12-18-15(11-19(20)28-21(30)6-5-9-29(2)3)22(26-13-25-18)27-14-7-8-17(24)16(23)10-14/h5-8,10-13H,4,9H2,1-3H3,(H,28,30)(H,25,26,27)/b6-5+
Name Type Language Details References
NEPTINIB
Common Name
English  
2-BUTENAMIDE, N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-ETHOXY-6-QUINAZOLINYL)-4-(DIMETHYLAMINO)-, (2E)-
Systematic Name
English  
N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-ETHOXY-6-QUINAZOLINYL)-4-(DIMETHYLAMINO)-2-BUTENAMIDE
Systematic Name
English  
Code System Code Type Description References
PUBCHEM
132164916
Created by admin on Thu Mar 26 00:20:05 EDT 2020 , Edited by admin on Thu Mar 26 00:20:05 EDT 2020
PRIMARY
Related Record Type Details References
TARGET -> INHIBITOR
none
Mediator Substance Details
none
ANTAGONIST
IC50
Created by admin on Thu Mar 26 00:20:05 EDT 2020 , Edited by admin on Thu Mar 26 00:20:05 EDT 2020
TARGET -> INHIBITOR
none
Mediator Substance Details
none
ANTAGONIST
IC50
Created by admin on Thu Mar 26 00:20:05 EDT 2020 , Edited by admin on Thu Mar 26 00:20:05 EDT 2020
SALT/SOLVATE -> PARENT
none
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 00:20:05 EDT 2020 , Edited by admin on Thu Mar 26 00:20:05 EDT 2020
SALT/SOLVATE -> PARENT
none
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 00:20:05 EDT 2020 , Edited by admin on Thu Mar 26 00:20:05 EDT 2020
TARGET -> INHIBITOR
none
Mediator Substance Details
none
ANTAGONIST
IC50
Created by admin on Thu Mar 26 00:20:05 EDT 2020 , Edited by admin on Thu Mar 26 00:20:05 EDT 2020
TARGET -> INHIBITOR
none
Mediator Substance Details
none
BINDING
IC50
Created by admin on Thu Mar 26 00:20:05 EDT 2020 , Edited by admin on Thu Mar 26 00:20:05 EDT 2020
Related Record Type Details References
ACTIVE MOIETY
none
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 00:20:05 EDT 2020 , Edited by admin on Thu Mar 26 00:20:05 EDT 2020
Note References
[Validation]WARNING:Structure Definition needs at least 1 reference
Created Thu Mar 26 00:20:05 EDT 2020
Created By admin
Last Edited Thu Mar 26 00:20:05 EDT 2020
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File
1 Assumed or asserted SYSTEM
2 STN STN (SCIFINDER)
3 A CRYSTAL FORM OF NEPTINIB di-P-METHYLBENZENESULFONATE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME, US20170342037A1 PATENT PUBLIC_DOMAIN_RELEASE
4 GSRS System-generated Validation messages VALIDATION_MESSAGE Thu Mar 26 00:20:05 EDT 2020
5 GSRS System-generated Validation messages VALIDATION_MESSAGE Thu Mar 26 00:20:05 EDT 2020
6 PUBCHEM PUBCHEM

Molecular Formula C22H23ClFN5O2
Molecular Weight 443.902
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE