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Details

Stereochemistry ACHIRAL
Molecular Formula C20H18FN5O3
Molecular Weight 395.387
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ifidancitinib

SMILES

COC1=C(F)C(C)=CC(NC2=NC=C(C)C(NC3=CC=C4OC(=O)NC4=C3)=N2)=C1

InChI

InChIKey=OYFMQDVLFYKOPZ-UHFFFAOYSA-N
InChI=1S/C20H18FN5O3/c1-10-6-13(8-16(28-3)17(10)21)24-19-22-9-11(2)18(26-19)23-12-4-5-15-14(7-12)25-20(27)29-15/h4-9H,1-3H3,(H,25,27)(H2,22,23,24,26)

HIDE SMILES / InChI

Molecular Formula C20H18FN5O3
Molecular Weight 395.387
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 12:07:22 GMT 2023
Edited
by admin
on Sat Dec 16 12:07:22 GMT 2023
Record UNII
R105E71J13
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ifidancitinib
INN  
Official Name English
ifidancitinib [INN]
Common Name English
A-301
Code English
Ifidancitinib [WHO-DD]
Common Name English
2(3H)-BENZOXAZOLONE, 5-((2-((4-FLUORO-3-METHOXY-5-METHYLPHENYL)AMINO)-5-METHYL-4-PYRIMIDINYL)AMINO)-
Systematic Name English
5-((2-((4-FLUORO-3-METHOXY-5-METHYLPHENYL)AMINO)-5-METHYL-4-PYRIMIDINYL)AMINO)-2(3H)-BENZOXAZOLONE
Systematic Name English
ATI-502
Code English
5-((2-(4-FLUORO-3-METHOXY-5-METHYLPHENYLAMINO)-5-METHYLPYRIMIDIN-4-YL)AMINO)BENZO(D)OXAZOL-2(3H)-ONE
Systematic Name English
Code System Code Type Description
NCI_THESAURUS
C174905
Created by admin on Sat Dec 16 12:07:22 GMT 2023 , Edited by admin on Sat Dec 16 12:07:22 GMT 2023
PRIMARY
CAS
1236667-40-5
Created by admin on Sat Dec 16 12:07:22 GMT 2023 , Edited by admin on Sat Dec 16 12:07:22 GMT 2023
PRIMARY
PUBCHEM
46851625
Created by admin on Sat Dec 16 12:07:22 GMT 2023 , Edited by admin on Sat Dec 16 12:07:22 GMT 2023
PRIMARY
INN
11232
Created by admin on Sat Dec 16 12:07:22 GMT 2023 , Edited by admin on Sat Dec 16 12:07:22 GMT 2023
PRIMARY
SMS_ID
300000024139
Created by admin on Sat Dec 16 12:07:22 GMT 2023 , Edited by admin on Sat Dec 16 12:07:22 GMT 2023
PRIMARY
FDA UNII
R105E71J13
Created by admin on Sat Dec 16 12:07:22 GMT 2023 , Edited by admin on Sat Dec 16 12:07:22 GMT 2023
PRIMARY
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE