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Details

Stereochemistry ACHIRAL
Molecular Formula C21H20ClN3O3
Molecular Weight 397.855
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Erlotinib Impurity B

SMILES

COCCOC1=CC2=C(C=C1OCCCl)C(NC3=CC(=CC=C3)C#C)=NC=N2

InChI

InChIKey=DBLVDARHJKFUSK-UHFFFAOYSA-N
InChI=1S/C21H20ClN3O3/c1-3-15-5-4-6-16(11-15)25-21-17-12-19(27-8-7-22)20(28-10-9-26-2)13-18(17)23-14-24-21/h1,4-6,11-14H,7-10H2,2H3,(H,23,24,25)

HIDE SMILES / InChI

Molecular Formula C21H20ClN3O3
Molecular Weight 397.855
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 19:53:37 GMT 2023
Edited
by admin
on Sat Dec 16 19:53:37 GMT 2023
Record UNII
D64THV2KES
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Erlotinib Impurity B
Common Name English
6-(2-Chloroethoxy)-N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-4-quinazolinamine
Systematic Name English
4-Quinazolinamine, 6-(2-chloroethoxy)-N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-
Systematic Name English
Code System Code Type Description
CAS
183321-83-7
Created by admin on Sat Dec 16 19:53:38 GMT 2023 , Edited by admin on Sat Dec 16 19:53:38 GMT 2023
PRIMARY
FDA UNII
D64THV2KES
Created by admin on Sat Dec 16 19:53:38 GMT 2023 , Edited by admin on Sat Dec 16 19:53:38 GMT 2023
PRIMARY
PUBCHEM
16045654
Created by admin on Sat Dec 16 19:53:38 GMT 2023 , Edited by admin on Sat Dec 16 19:53:38 GMT 2023
PRIMARY