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Details

Stereochemistry ACHIRAL
Molecular Formula C25H27Cl2N5O3
Molecular Weight 516.42
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESMETHYL BOSUTINIB

SMILES

COC1=C(Cl)C=C(Cl)C(NC2=C(C=NC3=CC(OCCCN4CCNCC4)=C(OC)C=C23)C#N)=C1

InChI

InChIKey=WJNXCARNBUNEMQ-UHFFFAOYSA-N
InChI=1S/C25H27Cl2N5O3/c1-33-22-13-21(18(26)11-19(22)27)31-25-16(14-28)15-30-20-12-24(23(34-2)10-17(20)25)35-9-3-6-32-7-4-29-5-8-32/h10-13,15,29H,3-9H2,1-2H3,(H,30,31)

HIDE SMILES / InChI

Molecular Formula C25H27Cl2N5O3
Molecular Weight 516.42
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 Thu Jul 06 14:12:40 UTC 2023
Edited
by admin
on Thu Jul 06 14:12:40 UTC 2023
Record UNII
8870T6W3VG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DESMETHYL BOSUTINIB
Common Name English
BOSUTINIB METABOLITE M5
Common Name English
3-QUINOLINECARBONITRILE, 4-((2,4-DICHLORO-5-METHOXYPHENYL)AMINO)6-METHOXY-7-(3-(1-PIPERAZINYL)PROPOXY))
Systematic Name English
Classification Tree Code System Code
NDF-RT N0000175605
Created by admin on Thu Jul 06 14:12:41 UTC 2023 , Edited by admin on Thu Jul 06 14:12:41 UTC 2023
Code System Code Type Description
PUBCHEM
5328944
Created by admin on Thu Jul 06 14:12:41 UTC 2023 , Edited by admin on Thu Jul 06 14:12:41 UTC 2023
PRIMARY
FDA UNII
8870T6W3VG
Created by admin on Thu Jul 06 14:12:41 UTC 2023 , Edited by admin on Thu Jul 06 14:12:41 UTC 2023
PRIMARY
CAS
380843-81-2
Created by admin on Thu Jul 06 14:12:41 UTC 2023 , Edited by admin on Thu Jul 06 14:12:41 UTC 2023
PRIMARY
Related Record Type Details
METABOLITE INACTIVE -> PARENT