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Details

Stereochemistry ACHIRAL
Molecular Formula C21H23N3O6
Molecular Weight 413.4238
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-((6-(2-HYDROXYETHOXY)-7-(2-METHOXYETHOXY)QUINAZOLIN-4-YL)AMINO)PHENYL)ACETIC ACID

SMILES

COCCOC1=CC2=C(C=C1OCCO)C(NC3=CC(CC(O)=O)=CC=C3)=NC=N2

InChI

InChIKey=IILOHZUILAOXFW-UHFFFAOYSA-N
InChI=1S/C21H23N3O6/c1-28-7-8-30-19-12-17-16(11-18(19)29-6-5-25)21(23-13-22-17)24-15-4-2-3-14(9-15)10-20(26)27/h2-4,9,11-13,25H,5-8,10H2,1H3,(H,26,27)(H,22,23,24)

HIDE SMILES / InChI

Molecular Formula C21H23N3O6
Molecular Weight 413.4238
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 10:00:32 GMT 2023
Edited
by admin
on Sat Dec 16 10:00:32 GMT 2023
Record UNII
JBW9REG8TL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3-((6-(2-HYDROXYETHOXY)-7-(2-METHOXYETHOXY)QUINAZOLIN-4-YL)AMINO)PHENYL)ACETIC ACID
Systematic Name English
ERLOTINIB METABOLITE M2
Common Name English
BENZENEACETIC ACID, 3-((7-(2-HYDROXYETHOXY)-6-(2-METHOXYETHOXY)-4-QUINAZOLINYL)AMINO)-
Common Name English
Code System Code Type Description
PUBCHEM
156596489
Created by admin on Sat Dec 16 10:00:32 GMT 2023 , Edited by admin on Sat Dec 16 10:00:32 GMT 2023
PRIMARY
CAS
882172-52-3
Created by admin on Sat Dec 16 10:00:32 GMT 2023 , Edited by admin on Sat Dec 16 10:00:32 GMT 2023
PRIMARY
FDA UNII
JBW9REG8TL
Created by admin on Sat Dec 16 10:00:32 GMT 2023 , Edited by admin on Sat Dec 16 10:00:32 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
FECAL; URINE