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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 of Ponatinib N-oxide

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
  • Download
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