Ponatinib N-oxide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H27F3N6O2
Molecular Weight	548.5589
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1C#CC2=CN=C3C=CC=NN23)C(=O)NC4=CC(=C(CN5CC[N+](C)([O-])CC5)C=C4)C(F)(F)F

InChI

InChIKey=QLWXUMFIMUKGLE-UHFFFAOYSA-N

InChI=1S/C29H27F3N6O2/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-37(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-36-12-14-38(2,40)15-13-36/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)

HIDE SMILES / InChI

Molecular Formula	C29H27F3N6O2
Molecular Weight	548.5589
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 19:12:40 GMT 2023` Edited by `admin` on `Sat Dec 16 19:12:40 GMT 2023`
Record UNII	W2MV3WB23U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ponatinib N-oxide

Common Name

English

3-(2-Imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methyl-4-oxido-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]benzamide

Systematic Name

English

Benzamide, 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methyl-4-oxido-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

129851389

Created by admin on Sat Dec 16 19:12:40 GMT 2023 , Edited by admin on Sat Dec 16 19:12:40 GMT 2023

PRIMARY

FDA UNII

W2MV3WB23U

Created by admin on Sat Dec 16 19:12:40 GMT 2023 , Edited by admin on Sat Dec 16 19:12:40 GMT 2023

PRIMARY

CAS

2227480-51-3

Created by admin on Sat Dec 16 19:12:40 GMT 2023 , Edited by admin on Sat Dec 16 19:12:40 GMT 2023

PRIMARY