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Details

Stereochemistry ACHIRAL
Molecular Formula C26H30ClN5O4
Molecular Weight 512.001
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OXYDECHLORINATED BOSUTINIB

SMILES

COC1=C(O)C=C(Cl)C(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C1

InChI

InChIKey=OFBQZZFEXFRYQW-UHFFFAOYSA-N
InChI=1S/C26H30ClN5O4/c1-31-6-8-32(9-7-31)5-4-10-36-25-13-20-18(11-24(25)35-3)26(17(15-28)16-29-20)30-21-14-23(34-2)22(33)12-19(21)27/h11-14,16,33H,4-10H2,1-3H3,(H,29,30)

HIDE SMILES / InChI

Molecular Formula C26H30ClN5O4
Molecular Weight 512.001
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 15:19:28 UTC 2023
Edited
by admin
on Thu Jul 06 15:19:28 UTC 2023
Record UNII
ESC667086F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OXYDECHLORINATED BOSUTINIB
Common Name English
BOSUTINIB METABOLITE M2
Common Name English
4-((2-CHLORO-4-HYDROXY-5-METHOXYPHENYL)AMINO)-6-METHOXY-7-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)QUINOLINE-3-CARBONITRILE
Systematic Name English
Code System Code Type Description
PUBCHEM
76974363
Created by admin on Thu Jul 06 15:19:28 UTC 2023 , Edited by admin on Thu Jul 06 15:19:28 UTC 2023
PRIMARY
FDA UNII
ESC667086F
Created by admin on Thu Jul 06 15:19:28 UTC 2023 , Edited by admin on Thu Jul 06 15:19:28 UTC 2023
PRIMARY
Related Record Type Details
METABOLITE INACTIVE -> PARENT