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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H27FN4O3.C4H4O4
Molecular Weight 566.5774
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CEDIRANIB MALEATE

SMILES

OC(=O)\C=C/C(O)=O.COC1=C(OCCCN2CCCC2)C=C3N=CN=C(OC4=C(F)C5=C(NC(C)=C5)C=C4)C3=C1

InChI

InChIKey=JRMGHBVACUJCRP-BTJKTKAUSA-N
InChI=1S/C25H27FN4O3.C4H4O4/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30;5-3(6)1-2-4(7)8/h6-7,12-15,29H,3-5,8-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula C25H27FN4O3
Molecular Weight 450.5053
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
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 No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:55:43 UTC 2023
Edited
by admin
on Fri Dec 15 15:55:43 UTC 2023
Record UNII
68AYS9A614
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEDIRANIB MALEATE
JAN   MART.   USAN  
USAN  
Official Name English
AZD2171 MALEATE
Code English
CEDIRANIB MALEAT
WHO-DD  
Common Name English
RECENTIN
Brand Name English
QUINAZOLINE, 4-((4-FLUORO-2-METHYL-1H-INDOL-5-YL)OXY)-6-METHOXY-7-(3-(1-PYRROLIDINYL)PROPOXY)-, (2Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
CEDIRANIB MALEATE [JAN]
Common Name English
AZD-2171 MALEATE
Code English
CEDIRANIB MALEATE [USAN]
Common Name English
CEDIRANIB MALEATE [MART.]
Common Name English
Cediranib maleat [WHO-DD]
Common Name English
4-((4-FLUORO-2-METHYL-1H-INDOL-5-YL)OXY)-6-METHOXY-7-(3-PYRROLIDIN-1-YLPROPOXY)QUINAZOLINE (2Z)-BUT-2-ENEDIOATE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C1967
Created by admin on Fri Dec 15 15:55:43 UTC 2023 , Edited by admin on Fri Dec 15 15:55:43 UTC 2023
NCI_THESAURUS C1742
Created by admin on Fri Dec 15 15:55:43 UTC 2023 , Edited by admin on Fri Dec 15 15:55:43 UTC 2023
Code System Code Type Description
EVMPD
SUB176736
Created by admin on Fri Dec 15 15:55:43 UTC 2023 , Edited by admin on Fri Dec 15 15:55:43 UTC 2023
PRIMARY
ChEMBL
CHEMBL491473
Created by admin on Fri Dec 15 15:55:43 UTC 2023 , Edited by admin on Fri Dec 15 15:55:43 UTC 2023
PRIMARY
DRUG BANK
DBSALT002394
Created by admin on Fri Dec 15 15:55:43 UTC 2023 , Edited by admin on Fri Dec 15 15:55:43 UTC 2023
PRIMARY
NSC
732208
Created by admin on Fri Dec 15 15:55:43 UTC 2023 , Edited by admin on Fri Dec 15 15:55:43 UTC 2023
PRIMARY
NCI_THESAURUS
C48379
Created by admin on Fri Dec 15 15:55:43 UTC 2023 , Edited by admin on Fri Dec 15 15:55:43 UTC 2023
PRIMARY
CAS
857036-77-2
Created by admin on Fri Dec 15 15:55:43 UTC 2023 , Edited by admin on Fri Dec 15 15:55:43 UTC 2023
PRIMARY
PUBCHEM
11226834
Created by admin on Fri Dec 15 15:55:43 UTC 2023 , Edited by admin on Fri Dec 15 15:55:43 UTC 2023
PRIMARY
SMS_ID
100000162765
Created by admin on Fri Dec 15 15:55:43 UTC 2023 , Edited by admin on Fri Dec 15 15:55:43 UTC 2023
PRIMARY
USAN
TT-142
Created by admin on Fri Dec 15 15:55:43 UTC 2023 , Edited by admin on Fri Dec 15 15:55:43 UTC 2023
PRIMARY
FDA UNII
68AYS9A614
Created by admin on Fri Dec 15 15:55:43 UTC 2023 , Edited by admin on Fri Dec 15 15:55:43 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY