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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H15ClN4O3
Molecular Weight 358.779
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(4-(3-CHLORO-4-HYDROXY-ANILINO)QUINAZOLIN-6-YL)-3-HYDROXY-PROPANAMIDE

SMILES

OCCC(=O)NC1=CC2=C(NC3=CC=C(O)C(Cl)=C3)N=CN=C2C=C1

InChI

InChIKey=ZWSGWVYJCYHPEI-UHFFFAOYSA-N
InChI=1S/C17H15ClN4O3/c18-13-8-11(2-4-15(13)24)22-17-12-7-10(21-16(25)5-6-23)1-3-14(12)19-9-20-17/h1-4,7-9,23-24H,5-6H2,(H,21,25)(H,19,20,22)

HIDE SMILES / InChI

Molecular Formula C17H15ClN4O3
Molecular Weight 358.779
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 16:37:23 UTC 2023
Edited
by admin
on Sat Dec 16 16:37:23 UTC 2023
Record UNII
R3011VJB4P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(4-(3-CHLORO-4-HYDROXY-ANILINO)QUINAZOLIN-6-YL)-3-HYDROXY-PROPANAMIDE
Systematic Name English
ALLITINIB METABOLITE M4
Common Name English
Code System Code Type Description
PUBCHEM
154584941
Created by admin on Sat Dec 16 16:37:23 UTC 2023 , Edited by admin on Sat Dec 16 16:37:23 UTC 2023
PRIMARY
FDA UNII
R3011VJB4P
Created by admin on Sat Dec 16 16:37:23 UTC 2023 , Edited by admin on Sat Dec 16 16:37:23 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL