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Details

Stereochemistry ACHIRAL
Molecular Formula C24H25ClFN5O3.2ClH
Molecular Weight 558.86
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CANERTINIB DIHYDROCHLORIDE

SMILES

Cl.Cl.FC1=C(Cl)C=C(NC2=NC=NC3=CC(OCCCN4CCOCC4)=C(NC(=O)C=C)C=C23)C=C1

InChI

InChIKey=JZZFDCXSFTVOJY-UHFFFAOYSA-N
InChI=1S/C24H25ClFN5O3.2ClH/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16;;/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29);2*1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C24H25ClFN5O3
Molecular Weight 485.938
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:07:02 UTC 2023
Edited
by admin
on Fri Dec 15 16:07:02 UTC 2023
Record UNII
ICJ93X8X90
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CANERTINIB DIHYDROCHLORIDE
MI   USAN   WHO-DD  
USAN  
Official Name English
N-[4-(3-Chloro-4-fluorophenyl)amino]-7-(3-morpholin-4-yl)propoxy]quinazolin-6-yl]prop-2-enamide dihydrochloride
Common Name English
CANERTINIB DIHYDROCHLORIDE [USAN]
Common Name English
CANERTINIB DIHYDROCHLORIDE [MI]
Common Name English
PD-0183805-002B
Code English
Canertinib dihydrochloride [WHO-DD]
Common Name English
N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-(3-(4-MORPHOLINYL)PROPOXY)-6-QUINAZOLINYL)-2-PROPENAMIDE DIHYDROCHLORIDE
Systematic Name English
CI-1033
Code English
2-PROPENAMIDE, N-(4-((3-CHLORO-4-FLUOROPHENYL) AMINO)-7-(3-(4-MORPHOLINYL)PROPOXY)-6-QUINAZOLINYL)-, DIHYDROCHLORIDE
Common Name English
PD-0183805
Code English
CANERTINIB HYDROCHLORIDE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C129825
Created by admin on Fri Dec 15 16:07:02 UTC 2023 , Edited by admin on Fri Dec 15 16:07:02 UTC 2023
NCI_THESAURUS C2167
Created by admin on Fri Dec 15 16:07:02 UTC 2023 , Edited by admin on Fri Dec 15 16:07:02 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C1880
Created by admin on Fri Dec 15 16:07:02 UTC 2023 , Edited by admin on Fri Dec 15 16:07:02 UTC 2023
PRIMARY
CAS
289499-45-2
Created by admin on Fri Dec 15 16:07:02 UTC 2023 , Edited by admin on Fri Dec 15 16:07:02 UTC 2023
PRIMARY
CHEBI
61399
Created by admin on Fri Dec 15 16:07:02 UTC 2023 , Edited by admin on Fri Dec 15 16:07:02 UTC 2023
PRIMARY
PUBCHEM
156413
Created by admin on Fri Dec 15 16:07:02 UTC 2023 , Edited by admin on Fri Dec 15 16:07:02 UTC 2023
PRIMARY
ChEMBL
CHEMBL31965
Created by admin on Fri Dec 15 16:07:02 UTC 2023 , Edited by admin on Fri Dec 15 16:07:02 UTC 2023
PRIMARY
FDA UNII
ICJ93X8X90
Created by admin on Fri Dec 15 16:07:02 UTC 2023 , Edited by admin on Fri Dec 15 16:07:02 UTC 2023
PRIMARY
EPA CompTox
DTXSID80183143
Created by admin on Fri Dec 15 16:07:02 UTC 2023 , Edited by admin on Fri Dec 15 16:07:02 UTC 2023
PRIMARY
EVMPD
SUB25455
Created by admin on Fri Dec 15 16:07:02 UTC 2023 , Edited by admin on Fri Dec 15 16:07:02 UTC 2023
PRIMARY
DRUG BANK
DBSALT002500
Created by admin on Fri Dec 15 16:07:02 UTC 2023 , Edited by admin on Fri Dec 15 16:07:02 UTC 2023
PRIMARY
SMS_ID
100000089476
Created by admin on Fri Dec 15 16:07:02 UTC 2023 , Edited by admin on Fri Dec 15 16:07:02 UTC 2023
PRIMARY
MESH
C420268
Created by admin on Fri Dec 15 16:07:02 UTC 2023 , Edited by admin on Fri Dec 15 16:07:02 UTC 2023
PRIMARY
USAN
NN-49
Created by admin on Fri Dec 15 16:07:02 UTC 2023 , Edited by admin on Fri Dec 15 16:07:02 UTC 2023
PRIMARY
MERCK INDEX
m3017
Created by admin on Fri Dec 15 16:07:02 UTC 2023 , Edited by admin on Fri Dec 15 16:07:02 UTC 2023
PRIMARY Merck Index
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY