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Details

Stereochemistry ACHIRAL
Molecular Formula C22H21ClN4O5S
Molecular Weight 488.944
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2(1H)-QUINAZOLINONE, 4-((3-CHLORO-4-HYDROXYPHENYL)AMINO)-6-(5-(((2-(METHYLSULFONYL)ETHYL)AMINO)METHYL)-2-FURANYL)-

SMILES

CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC=C3N=C(O)N=C(NC4=CC(Cl)=C(O)C=C4)C3=C2

InChI

InChIKey=AUAGHDXQEKFWSG-UHFFFAOYSA-N
InChI=1S/C22H21ClN4O5S/c1-33(30,31)9-8-24-12-15-4-7-20(32-15)13-2-5-18-16(10-13)21(27-22(29)26-18)25-14-3-6-19(28)17(23)11-14/h2-7,10-11,24,28H,8-9,12H2,1H3,(H2,25,26,27,29)

HIDE SMILES / InChI

Molecular Formula C22H21ClN4O5S
Molecular Weight 488.944
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 14:38:52 GMT 2023
Edited
by admin
on Sat Dec 16 14:38:52 GMT 2023
Record UNII
5T9BGR2UCX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2(1H)-QUINAZOLINONE, 4-((3-CHLORO-4-HYDROXYPHENYL)AMINO)-6-(5-(((2-(METHYLSULFONYL)ETHYL)AMINO)METHYL)-2-FURANYL)-
Systematic Name English
LAPATINIB METABOLITE M3
Common Name English
4-((3-CHLORO-4-HYDROXYPHENYL)AMINO)-6-(5-(((2-(METHYLSULFONYL)ETHYL)AMINO)METHYL)-2-FURANYL)-2(1H)-QUINAZOLINONE
Systematic Name English
Code System Code Type Description
CAS
1415561-30-6
Created by admin on Sat Dec 16 14:38:53 GMT 2023 , Edited by admin on Sat Dec 16 14:38:53 GMT 2023
PRIMARY
FDA UNII
5T9BGR2UCX
Created by admin on Sat Dec 16 14:38:53 GMT 2023 , Edited by admin on Sat Dec 16 14:38:53 GMT 2023
PRIMARY
PUBCHEM
118753081
Created by admin on Sat Dec 16 14:38:53 GMT 2023 , Edited by admin on Sat Dec 16 14:38:53 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE