U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C23H20N6O5
Molecular Weight 460.443
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(N-(CARBOXYMETHYL)-4-((4-(4-(CYANOMETHYLCARBAMOYL)PHENYL)PYRIMIDIN-2-YL)AMINO)ANILINO)ACETIC ACID

SMILES

c1cc(ccc1-c2ccnc(Nc3ccc(cc3)N(CC(=O)O)CC(=O)O)n2)C(=O)NCC#N

InChI

InChIKey=WSKQUDSRHSEGSW-UHFFFAOYSA-N
InChI=1S/C23H20N6O5/c24-10-12-25-22(34)16-3-1-15(2-4-16)19-9-11-26-23(28-19)27-17-5-7-18(8-6-17)29(13-20(30)31)14-21(32)33/h1-9,11H,12-14H2,(H,25,34)(H,30,31)(H,32,33)(H,26,27,28)

HIDE SMILES / InChI

Molecular Formula C23H20N6O5
Molecular Weight 460.443
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 Jun 26 00:36:54 UTC 2021
Edited
by admin
on Sat Jun 26 00:36:54 UTC 2021
Record UNII
6YKA80H48Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(N-(CARBOXYMETHYL)-4-((4-(4-(CYANOMETHYLCARBAMOYL)PHENYL)PYRIMIDIN-2-YL)AMINO)ANILINO)ACETIC ACID
Systematic Name English
MOMELOTINIB METABOLITE M5
Common Name English
Code System Code Type Description
PUBCHEM
146019626
Created by admin on Sat Jun 26 00:36:54 UTC 2021 , Edited by admin on Sat Jun 26 00:36:54 UTC 2021
PRIMARY
FDA UNII
6YKA80H48Z
Created by admin on Sat Jun 26 00:36:54 UTC 2021 , Edited by admin on Sat Jun 26 00:36:54 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA
PARENT -> METABOLITE
URINE
PARENT -> METABOLITE
FECAL