1-(3-((4-METHYL-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINO)BENZOYL)AMINO)-5-(TRIFLUOROMETHYL)PHENYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID

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

Structure Search

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 `Sat Dec 16 10:31:42 UTC 2023` Edited by `admin` on `Sat Dec 16 10:31:42 UTC 2023`
Record UNII	J4WJ4450U9
Record Status	`Validated (UNII)`
Record Version

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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 Sat Dec 16 10:31:42 UTC 2023 , Edited by admin on Sat Dec 16 10:31:42 UTC 2023

PRIMARY

FDA UNII

J4WJ4450U9

Created by admin on Sat Dec 16 10:31:42 UTC 2023 , Edited by admin on Sat Dec 16 10:31:42 UTC 2023

PRIMARY

CAS

1807607-72-2

Created by admin on Sat Dec 16 10:31:42 UTC 2023 , Edited by admin on Sat Dec 16 10:31:42 UTC 2023

PRIMARY

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NILOTINIB

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FECAL

Amount: