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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H20N6O2
Molecular Weight 388.4225
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZAMIDE, N-(CYANOMETHYL)-4-(2-((4-((2-HYDROXYETHYL)AMINO)PHENYL)AMINO)-4-PYRIMIDINYL)-

SMILES

OCCNC1=CC=C(NC2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCC#N)C=C1

InChI

InChIKey=OSFDLPGCGJPSGU-UHFFFAOYSA-N
InChI=1S/C21H20N6O2/c22-10-12-24-20(29)16-3-1-15(2-4-16)19-9-11-25-21(27-19)26-18-7-5-17(6-8-18)23-13-14-28/h1-9,11,23,28H,12-14H2,(H,24,29)(H,25,26,27)

HIDE SMILES / InChI

Molecular Formula C21H20N6O2
Molecular Weight 388.4225
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 15:18:20 GMT 2023
Edited
by admin
on Sat Dec 16 15:18:20 GMT 2023
Record UNII
SZ42NX7H5A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZAMIDE, N-(CYANOMETHYL)-4-(2-((4-((2-HYDROXYETHYL)AMINO)PHENYL)AMINO)-4-PYRIMIDINYL)-
Systematic Name English
MOMELOTINIB METABOLITE M16
Common Name English
Code System Code Type Description
FDA UNII
SZ42NX7H5A
Created by admin on Sat Dec 16 15:18:20 GMT 2023 , Edited by admin on Sat Dec 16 15:18:20 GMT 2023
PRIMARY
PUBCHEM
118574355
Created by admin on Sat Dec 16 15:18:20 GMT 2023 , Edited by admin on Sat Dec 16 15:18:20 GMT 2023
PRIMARY
CAS
1841094-20-9
Created by admin on Sat Dec 16 15:18:20 GMT 2023 , Edited by admin on Sat Dec 16 15:18:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL
PARENT -> METABOLITE
URINE