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Details

Stereochemistry ACHIRAL
Molecular Formula C21H20N4O3
Molecular Weight 376.4093
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-((4-(4-MORPHOLINYL)PHENYL)AMINO)-4-PYRIMIDINYL)BENZOIC ACID

SMILES

c1cc(ccc1-c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2)C(=O)O

InChI

InChIKey=VYXONEXRZMHYRY-UHFFFAOYSA-N
InChI=1S/C21H20N4O3/c26-20(27)16-3-1-15(2-4-16)19-9-10-22-21(24-19)23-17-5-7-18(8-6-17)25-11-13-28-14-12-25/h1-10H,11-14H2,(H,26,27)(H,22,23,24)

HIDE SMILES / InChI

Molecular Formula C21H20N4O3
Molecular Weight 376.4093
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 01:12:13 UTC 2021
Edited
by admin
on Sat Jun 26 01:12:13 UTC 2021
Record UNII
TV28NF837I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(2-((4-(4-MORPHOLINYL)PHENYL)AMINO)-4-PYRIMIDINYL)BENZOIC ACID
Systematic Name English
4-(2-(4-MORPHOLINOPHENYLAMINO)PYRIMIDIN-4-YL)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 4-(2-((4-(4-MORPHOLINYL)PHENYL)AMINO)-4-PYRIMIDINYL)-
Systematic Name English
MOMELOTINIB METABOLITE M19
Common Name English
Code System Code Type Description
FDA UNII
TV28NF837I
Created by admin on Sat Jun 26 01:12:13 UTC 2021 , Edited by admin on Sat Jun 26 01:12:13 UTC 2021
PRIMARY
PUBCHEM
57990820
Created by admin on Sat Jun 26 01:12:13 UTC 2021 , Edited by admin on Sat Jun 26 01:12:13 UTC 2021
PRIMARY
CAS
945749-71-3
Created by admin on Sat Jun 26 01:12:13 UTC 2021 , Edited by admin on Sat Jun 26 01:12:13 UTC 2021
PRIMARY
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FECAL
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC