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Details

Stereochemistry ACHIRAL
Molecular Formula C17H14N4O2
Molecular Weight 306.3187
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYL-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINO)BENZOIC ACID

SMILES

CC1=CC=C(C=C1NC2=NC=CC(=N2)C3=CC=CN=C3)C(O)=O

InChI

InChIKey=LDLZPHLSVKGFSC-UHFFFAOYSA-N
InChI=1S/C17H14N4O2/c1-11-4-5-12(16(22)23)9-15(11)21-17-19-8-6-14(20-17)13-3-2-7-18-10-13/h2-10H,1H3,(H,22,23)(H,19,20,21)

HIDE SMILES / InChI

Molecular Formula C17H14N4O2
Molecular Weight 306.3187
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 Sat Dec 16 07:59:48 UTC 2023
Edited
by admin
on Sat Dec 16 07:59:48 UTC 2023
Record UNII
TQ9WCS4PF0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHYL-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINO)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 4-METHYL-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINO)-
Common Name English
4-METHYL-3-((4-(3-PYRIDYL)PYRIMIDIN-2-YL)AMINO)BENZOIC ACID
Systematic Name English
NILOTINIB HYDROCHLORIDE MONOHYDRATE IMPURITY D [EP IMPURITY]
Common Name English
P20
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90439380
Created by admin on Sat Dec 16 07:59:49 UTC 2023 , Edited by admin on Sat Dec 16 07:59:49 UTC 2023
PRIMARY
PUBCHEM
10402880
Created by admin on Sat Dec 16 07:59:49 UTC 2023 , Edited by admin on Sat Dec 16 07:59:49 UTC 2023
PRIMARY
FDA UNII
TQ9WCS4PF0
Created by admin on Sat Dec 16 07:59:49 UTC 2023 , Edited by admin on Sat Dec 16 07:59:49 UTC 2023
PRIMARY
CAS
641569-94-0
Created by admin on Sat Dec 16 07:59:49 UTC 2023 , Edited by admin on Sat Dec 16 07:59:49 UTC 2023
PRIMARY
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EP
PARENT -> IMPURITY