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Details

Stereochemistry ACHIRAL
Molecular Formula C22H23ClN4O4
Molecular Weight 442.895
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of GEFITINIB-2,5-CYCLOHEXADIEN-1-ONE, 2-CHLORO-4-IMINO-

SMILES

COC1=C(OCCCN2CCOCC2)C=C3C(=C1)N=CN=C3\N=C4\C=CC(=O)C(Cl)=C4

InChI

InChIKey=YURIGVDTQCDCHI-YSMPRRRNSA-N
InChI=1S/C22H23ClN4O4/c1-29-20-13-18-16(12-21(20)31-8-2-5-27-6-9-30-10-7-27)22(25-14-24-18)26-15-3-4-19(28)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3/b26-15-

HIDE SMILES / InChI

Molecular Formula C22H23ClN4O4
Molecular Weight 442.895
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 Thu Jul 06 19:38:18 UTC 2023
Edited
by admin
on Thu Jul 06 19:38:18 UTC 2023
Record UNII
MNV6L4WJV9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GEFITINIB-2,5-CYCLOHEXADIEN-1-ONE, 2-CHLORO-4-IMINO-
Common Name English
(4Z)-2-CHLORO-4-(7-METHOXY-6-(3-MORPHOLINOPROPOXY)QUINAZOLIN-4-YL)IMINO-CYCLOHEXA-2,5-DIEN-1-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
MNV6L4WJV9
Created by admin on Thu Jul 06 19:38:18 UTC 2023 , Edited by admin on Thu Jul 06 19:38:18 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Produced thru Defluorination/hydroxylation.