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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H21N3O5
Molecular Weight 407.4192
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ERLORTINIB HEPATOTOXIC GUINONEIMINE

SMILES

COCCOC1=C(OCCOC)C=C2C(=C1)N=CN=C2\N=C3\C=CC(=O)C(=C3)C#C

InChI

InChIKey=NZKODLGRMXYYIO-XYGWBWBKSA-N
InChI=1S/C22H21N3O5/c1-4-15-11-16(5-6-19(15)26)25-22-17-12-20(29-9-7-27-2)21(30-10-8-28-3)13-18(17)23-14-24-22/h1,5-6,11-14H,7-10H2,2-3H3/b25-16-

HIDE SMILES / InChI

Molecular Formula C22H21N3O5
Molecular Weight 407.4192
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:06:00 GMT 2023
Edited
by admin
on Sat Dec 16 15:06:00 GMT 2023
Record UNII
8WJW95YV4U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ERLORTINIB HEPATOTOXIC GUINONEIMINE
Common Name English
(4Z)-4-(6,7-BIS(2-METHOXYETHOXY)QUINAZOLIN-4-YL)IMINO-2-ETHYNYL-CYCLOHEXA-2,5-DIEN-1-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
8WJW95YV4U
Created by admin on Sat Dec 16 15:06:01 GMT 2023 , Edited by admin on Sat Dec 16 15:06:01 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Mediated thru CYP3A4/1A1 and produced thru aromatic hydroxylation.