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 2.5.1.2
Substance Class Chemical
Record UNII
RD1QAE9R4N
Record Status Validated (UNII)
Record Version
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Details

Stereochemistry ACHIRAL
Molecular Formula C23H25ClFN5O3.2C4H4O4
Molecular Weight 706.072
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0
Created by admin on Sat Jul 11 00:40:55 EDT 2020
Edited by admin on Sat Jul 11 00:40:55 EDT 2020
Structure of SAPITINIB DIFUMURATE

Systematic Names:

  • None recorded
  • {{name}}

SMILES

OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.CNC(=O)CN1CCC(CC1)OC2=CC3=C(NC4=CC=CC(Cl)=C4F)N=CN=C3C=C2OC

InChI

LSXKPHWAKWZIKV-LVEZLNDCSA-N
InChI=1S/C23H25ClFN5O3.2C4H4O4/c1-26-21(31)12-30-8-6-14(7-9-30)33-20-10-15-18(11-19(20)32-2)27-13-28-23(15)29-17-5-3-4-16(24)22(17)25;2*5-3(6)1-2-4(7)8/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,26,31)(H,27,28,29);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
Name Type Language Details References
SAPITINIB DIFUMURATE
Common Name
English  
1-PIPERIDINEACETAMIDE, 4-((4-((3-CHLORO-2-FLUOROPHENYL)AMINO)-7-METHOXY-6-QUINAZOLINYL)OXY)-N-METHYL-, (2E)-2-BUTENEDIOATE (1:2)
Systematic Name
English  
AZD8931 DIFUMARICACID
Code
English  
AZD-8931 DIFUMARICACID
Common Name
English  
Code System Code Type Description References
CAS
1196531-39-1
Created by admin on Sat Jul 11 00:40:55 EDT 2020 , Edited by admin on Sat Jul 11 00:40:55 EDT 2020
PRIMARY
PUBCHEM
44470103
Created by admin on Sat Jul 11 00:40:55 EDT 2020 , Edited by admin on Sat Jul 11 00:40:55 EDT 2020
PRIMARY
Related Record Type Details References
PARENT -> SALT/SOLVATE
none
Mediator Substance Details
none
Created by admin on Sat Jul 11 00:40:55 EDT 2020 , Edited by admin on Sat Jul 11 00:40:55 EDT 2020
Related Record Type Details References
ACTIVE MOIETY
none
Mediator Substance Details
none
Created by admin on Sat Jul 11 00:40:55 EDT 2020 , Edited by admin on Sat Jul 11 00:40:55 EDT 2020
Note References
[Validation]WARNING:Must specify STN reference for CAS
Created Sat Jul 11 00:40:55 EDT 2020
Created By admin
Last Edited Sat Jul 11 00:40:55 EDT 2020
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File
1 GSRS System-generated Validation messages VALIDATION_MESSAGE Sat Jul 11 00:40:55 EDT 2020
2 PUBCHEM NLM PUBLIC_DOMAIN_RELEASE
3 STN STN (SCIFINDER) PUBLIC_DOMAIN_RELEASE
4 FDA_SRS SRS
5 GSRS System-generated Validation messages VALIDATION_MESSAGE Sat Jul 11 00:40:55 EDT 2020
6 STN STN (SCIFINDER)

Molecular Formula C23H25ClFN5O3
Molecular Weight 473.928
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE