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Details

Stereochemistry ACHIRAL
Molecular Formula C21H19N3O5
Molecular Weight 393.3927
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-(3-ETHYNYLANILINO)-7-(2-METHOXYETHOXY)QUINAZOLIN-6-YL)OXYACETIC ACID

SMILES

COCCOC1=CC2=C(NC3=CC=CC(=C3)C#C)N=CN=C2C=C1OCC(O)=O

InChI

InChIKey=UFKZQJKDHRJVEF-UHFFFAOYSA-N
InChI=1S/C21H19N3O5/c1-3-14-5-4-6-15(9-14)24-21-16-10-18(28-8-7-27-2)19(29-12-20(25)26)11-17(16)22-13-23-21/h1,4-6,9-11,13H,7-8,12H2,2H3,(H,25,26)(H,22,23,24)

HIDE SMILES / InChI

Molecular Formula C21H19N3O5
Molecular Weight 393.3927
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 16:41:14 UTC 2019
Edited
by admin
on Tue Oct 22 16:41:14 UTC 2019
Record UNII
NE98M1L9HG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-(3-ETHYNYLANILINO)-7-(2-METHOXYETHOXY)QUINAZOLIN-6-YL)OXYACETIC ACID
Systematic Name English
ACETIC ACID, 2-((4-((3-ETHYNYLPHENYL)AMINO)-6-(2-METHOXYETHOXY)-7-QUINAZOLINYL)OXY)-
Common Name English
ACETIC ACID, ((4-((3-ETHYNYLPHENYL)AMINO)-6-(2-METHOXYETHOXY)-7-QUINAZOLINYL)OXY)-
Common Name English
ERLOTINIB METABOLITE M11
Common Name English
Code System Code Type Description
CAS
882172-60-3
Created by admin on Tue Oct 22 16:41:14 UTC 2019 , Edited by admin on Tue Oct 22 16:41:14 UTC 2019
PRIMARY
PUBCHEM
71315775
Created by admin on Tue Oct 22 16:41:14 UTC 2019 , Edited by admin on Tue Oct 22 16:41:14 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
FECAL; URINE