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Details

Stereochemistry ACHIRAL
Molecular Formula C28H20F3N7O3
Molecular Weight 559.4987
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3-((4-METHYL-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINO)BENZOYL)AMINO)-5-(TRIFLUOROMETHYL)PHENYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID

SMILES

CC1=CC=C(C=C1NC2=NC=CC(=N2)C3=CC=CN=C3)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)N5C=NC(=C5)C(O)=O

InChI

InChIKey=UOTFILZVVPQYTQ-UHFFFAOYSA-N
InChI=1S/C28H20F3N7O3/c1-16-4-5-17(9-23(16)37-27-33-8-6-22(36-27)18-3-2-7-32-13-18)25(39)35-20-10-19(28(29,30)31)11-21(12-20)38-14-24(26(40)41)34-15-38/h2-15H,1H3,(H,35,39)(H,40,41)(H,33,36,37)

HIDE SMILES / InChI

Molecular Formula C28H20F3N7O3
Molecular Weight 559.4987
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 Thu Jul 06 16:05:42 UTC 2023
Edited
by admin
on Thu Jul 06 16:05:42 UTC 2023
Record UNII
J4WJ4450U9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(3-((4-METHYL-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINO)BENZOYL)AMINO)-5-(TRIFLUOROMETHYL)PHENYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID
Systematic Name English
NILOTINIB METABOLITE P36.5
Common Name English
1H-IMIDAZOLE-4-CARBOXYLIC ACID, 1-(3-((4-METHYL-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINO)BENZOYL)AMINO)-5-(TRIFLUOROMETHYL)PHENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
118796518
Created by admin on Thu Jul 06 16:05:42 UTC 2023 , Edited by admin on Thu Jul 06 16:05:42 UTC 2023
PRIMARY
FDA UNII
J4WJ4450U9
Created by admin on Thu Jul 06 16:05:42 UTC 2023 , Edited by admin on Thu Jul 06 16:05:42 UTC 2023
PRIMARY
CAS
1807607-72-2
Created by admin on Thu Jul 06 16:05:42 UTC 2023 , Edited by admin on Thu Jul 06 16:05:42 UTC 2023
PRIMARY
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