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Details

Stereochemistry ACHIRAL
Molecular Formula C23H25ClFN7O
Molecular Weight 469.942
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GANDOTINIB

SMILES

CC1=CC(NC2=NN3C(CC4=C(F)C=C(Cl)C=C4)=C(C)N=C3C(CN5CCOCC5)=C2)=NN1

InChI

InChIKey=SQSZANZGUXWJEA-UHFFFAOYSA-N
InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)

HIDE SMILES / InChI
Molecular Formula C23H25ClFN7O
Molecular Weight 469.942
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 15:52:34 UTC 2023
Edited
by admin
on Sat Dec 16 15:52:34 UTC 2023
Record UNII
ANC71R916O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GANDOTINIB
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
Gandotinib [WHO-DD]
Common Name English
3-(4-CHLORO-2-FLUOROBENZYL)-2-METHYL-N-(5-METHYL-1H-PYRAZOL-3-YL)-8- (MORPHOLINOMETHYL)IMIDAZO(1,2-B)PYRIDAZIN-6-AMINE
Systematic Name English
IMIDAZO(1,2-B)PYRIDAZIN-6-AMINE, 3-((4-CHLORO-2-FLUOROPHENYL)METHYL)-2-METHYL-N-(5- METHYL-1H-PYRAZOL-3-YL)-8-(4-MORPHOLINYLMETHYL)-
Common Name English
gandotinib [INN]
Common Name English
LY2784544
Code English
GANDOTINIB [USAN]
Common Name English
3-((4-CHLORO-2-FLUOROPHENYL)METHYL)-2-METHYL-N-(5-METHYL-1H-PYRAZOL-3-YL)-8- (MORPHOLIN-4-YLMETHYL)IMIDAZO(1,2-B)PYRIDAZIN-6-AMINE
Systematic Name English
LY-2784544
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 334211
Created by admin on Sat Dec 16 15:52:34 UTC 2023 , Edited by admin on Sat Dec 16 15:52:34 UTC 2023
NCI_THESAURUS C1967
Created by admin on Sat Dec 16 15:52:34 UTC 2023 , Edited by admin on Sat Dec 16 15:52:34 UTC 2023
NCI_THESAURUS C129825
Created by admin on Sat Dec 16 15:52:34 UTC 2023 , Edited by admin on Sat Dec 16 15:52:34 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL2107823
Created by admin on Sat Dec 16 15:52:34 UTC 2023 , Edited by admin on Sat Dec 16 15:52:34 UTC 2023
PRIMARY
EVMPD
SUB128915
Created by admin on Sat Dec 16 15:52:34 UTC 2023 , Edited by admin on Sat Dec 16 15:52:34 UTC 2023
PRIMARY
FDA UNII
ANC71R916O
Created by admin on Sat Dec 16 15:52:34 UTC 2023 , Edited by admin on Sat Dec 16 15:52:34 UTC 2023
PRIMARY
WIKIPEDIA
Gandotinib
Created by admin on Sat Dec 16 15:52:34 UTC 2023 , Edited by admin on Sat Dec 16 15:52:34 UTC 2023
PRIMARY
USAN
ZZ-54
Created by admin on Sat Dec 16 15:52:34 UTC 2023 , Edited by admin on Sat Dec 16 15:52:34 UTC 2023
PRIMARY
DRUG BANK
DB13040
Created by admin on Sat Dec 16 15:52:34 UTC 2023 , Edited by admin on Sat Dec 16 15:52:34 UTC 2023
PRIMARY
SMS_ID
100000155073
Created by admin on Sat Dec 16 15:52:34 UTC 2023 , Edited by admin on Sat Dec 16 15:52:34 UTC 2023
PRIMARY
NCI_THESAURUS
C116857
Created by admin on Sat Dec 16 15:52:34 UTC 2023 , Edited by admin on Sat Dec 16 15:52:34 UTC 2023
PRIMARY
INN
9695
Created by admin on Sat Dec 16 15:52:34 UTC 2023 , Edited by admin on Sat Dec 16 15:52:34 UTC 2023
PRIMARY
EPA CompTox
DTXSID20153789
Created by admin on Sat Dec 16 15:52:34 UTC 2023 , Edited by admin on Sat Dec 16 15:52:34 UTC 2023
PRIMARY
PUBCHEM
46213929
Created by admin on Sat Dec 16 15:52:34 UTC 2023 , Edited by admin on Sat Dec 16 15:52:34 UTC 2023
PRIMARY
CAS
1229236-86-5
Created by admin on Sat Dec 16 15:52:34 UTC 2023 , Edited by admin on Sat Dec 16 15:52:34 UTC 2023
PRIMARY
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Related Record Type Details
Structure of GANDOTINIB
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