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Details

Stereochemistry ACHIRAL
Molecular Formula C21H21N3O5
Molecular Weight 395.4085
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ETHYNYL-4-((6-(2-HYDROXYETHOXY)-7-(2-METHOXYETHOXY)QUINAZOLIN-4-YL)AMINO)PHENOL

SMILES

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

InChI

InChIKey=KTVMWNNTYIAZAL-UHFFFAOYSA-N
InChI=1S/C21H21N3O5/c1-3-14-10-15(4-5-18(14)26)24-21-16-11-19(28-7-6-25)20(29-9-8-27-2)12-17(16)22-13-23-21/h1,4-5,10-13,25-26H,6-9H2,2H3,(H,22,23,24)

HIDE SMILES / InChI

Molecular Formula C21H21N3O5
Molecular Weight 395.4085
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 18:49:01 GMT 2023
Edited
by admin
on Sat Dec 16 18:49:01 GMT 2023
Record UNII
8XM9WDB2RD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ETHYNYL-4-((6-(2-HYDROXYETHOXY)-7-(2-METHOXYETHOXY)QUINAZOLIN-4-YL)AMINO)PHENOL
Systematic Name English
ERLOTINIB METABOLITE M17
Common Name English
PHENOL, 2-ETHYNYL-4-((6-(2-HYDROXYETHOXY)-7-(2-METHOXYETHOXY)-4-QUINAZOLINYL)AMINO)-
Systematic Name English
Code System Code Type Description
CAS
882172-55-6
Created by admin on Sat Dec 16 18:49:01 GMT 2023 , Edited by admin on Sat Dec 16 18:49:01 GMT 2023
PRIMARY
PUBCHEM
156596548
Created by admin on Sat Dec 16 18:49:01 GMT 2023 , Edited by admin on Sat Dec 16 18:49:01 GMT 2023
PRIMARY
FDA UNII
8XM9WDB2RD
Created by admin on Sat Dec 16 18:49:01 GMT 2023 , Edited by admin on Sat Dec 16 18:49:01 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE