U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C19H17FN6O4
Molecular Weight 412.3745
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of P-DE(METHOXY)-M,M-DEMETHYL-TAMATINIB

SMILES

CC1(C)OC2=CC=C(NC3=NC(NC4=CC(O)=CC(O)=C4)=NC=C3F)N=C2NC1=O

InChI

InChIKey=INKHWNUEMSSPNY-UHFFFAOYSA-N
InChI=1S/C19H17FN6O4/c1-19(2)17(29)25-16-13(30-19)3-4-14(24-16)23-15-12(20)8-21-18(26-15)22-9-5-10(27)7-11(28)6-9/h3-8,27-28H,1-2H3,(H3,21,22,23,24,25,26,29)

HIDE SMILES / InChI

Molecular Formula C19H17FN6O4
Molecular Weight 412.3745
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 Wed Apr 02 07:15:28 GMT 2025
Edited
by admin
on Wed Apr 02 07:15:28 GMT 2025
Record UNII
B5MW0MGI3L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
M413
Preferred Name English
P-DE(METHOXY)-M,M-DEMETHYL-TAMATINIB
Common Name English
2H-PYRIDO(3,2-B)-1,4-OXAZIN-3(4H)-ONE, 6-((2-((3,5-DIHYDROXYPHENYL)AMINO)-5-FLUORO-4-PYRIMIDINYL)AMINO)-2,2-DIMETHYL-
Systematic Name English
6-((2-((3,5-DIHYDROXYPHENYL)AMINO)-5-FLUORO-4-PYRIMIDINYL)AMINO)-2,2-DIMETHYL-2H-PYRIDO(3,2-B)-1,4-OXAZIN-3(4H)-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
146675106
Created by admin on Wed Apr 02 07:15:28 GMT 2025 , Edited by admin on Wed Apr 02 07:15:28 GMT 2025
PRIMARY
FDA UNII
B5MW0MGI3L
Created by admin on Wed Apr 02 07:15:28 GMT 2025 , Edited by admin on Wed Apr 02 07:15:28 GMT 2025
PRIMARY
CAS
1293999-51-5
Created by admin on Wed Apr 02 07:15:28 GMT 2025 , Edited by admin on Wed Apr 02 07:15:28 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL
PARENT -> METABOLITE
FECAL