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Details

Stereochemistry ACHIRAL
Molecular Formula C21H18N4O4
Molecular Weight 390.392
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZOIC ACID, 4-(2-((4-(3-OXO-4-MORPHOLINYL)PHENYL)AMINO)-4-PYRIMIDINYL)-

SMILES

OC(=O)C1=CC=C(C=C1)C2=NC(NC3=CC=C(C=C3)N4CCOCC4=O)=NC=C2

InChI

InChIKey=LJAVNKYBUKZOTK-UHFFFAOYSA-N
InChI=1S/C21H18N4O4/c26-19-13-29-12-11-25(19)17-7-5-16(6-8-17)23-21-22-10-9-18(24-21)14-1-3-15(4-2-14)20(27)28/h1-10H,11-13H2,(H,27,28)(H,22,23,24)

HIDE SMILES / InChI

Molecular Formula C21H18N4O4
Molecular Weight 390.392
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 15:18:21 GMT 2023
Edited
by admin
on Sat Dec 16 15:18:21 GMT 2023
Record UNII
U2VN75VM3A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOIC ACID, 4-(2-((4-(3-OXO-4-MORPHOLINYL)PHENYL)AMINO)-4-PYRIMIDINYL)-
Systematic Name English
MOMELOTINIB METABOLITE M14
Common Name English
Code System Code Type Description
CAS
1841094-18-5
Created by admin on Sat Dec 16 15:18:21 GMT 2023 , Edited by admin on Sat Dec 16 15:18:21 GMT 2023
PRIMARY
FDA UNII
U2VN75VM3A
Created by admin on Sat Dec 16 15:18:21 GMT 2023 , Edited by admin on Sat Dec 16 15:18:21 GMT 2023
PRIMARY
PUBCHEM
118574335
Created by admin on Sat Dec 16 15:18:21 GMT 2023 , Edited by admin on Sat Dec 16 15:18:21 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
FECAL
PARENT -> METABOLITE
URINE