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Details

Stereochemistry ACHIRAL
Molecular Formula C17H13ClN4O2
Molecular Weight 340.764
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PROPENAMIDE, N-(4-((3-CHLORO-4-HYDROXYPHENYL)AMINO)-6-QUINAZOLINYL)-

SMILES

OC1=CC=C(NC2=C3C=C(NC(=O)C=C)C=CC3=NC=N2)C=C1Cl

InChI

InChIKey=JTEMQAUFXFCXLK-UHFFFAOYSA-N
InChI=1S/C17H13ClN4O2/c1-2-16(24)21-10-3-5-14-12(7-10)17(20-9-19-14)22-11-4-6-15(23)13(18)8-11/h2-9,23H,1H2,(H,21,24)(H,19,20,22)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
ALLITINIB METABOLITE M1
Preferred Name English
2-PROPENAMIDE, N-(4-((3-CHLORO-4-HYDROXYPHENYL)AMINO)-6-QUINAZOLINYL)-
Systematic Name English
Code System Code Type Description
CAS
1321549-28-3
Created by admin on Wed Apr 02 07:27:40 GMT 2025 , Edited by admin on Wed Apr 02 07:27:40 GMT 2025
PRIMARY
FDA UNII
KBG9ZHB4Q5
Created by admin on Wed Apr 02 07:27:40 GMT 2025 , Edited by admin on Wed Apr 02 07:27:40 GMT 2025
PRIMARY
PUBCHEM
53354142
Created by admin on Wed Apr 02 07:27:40 GMT 2025 , Edited by admin on Wed Apr 02 07:27:40 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of ALLITINIB
NIH
NCATS
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