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Details

Stereochemistry ACHIRAL
Molecular Formula C26H30ClN5O7S
Molecular Weight 592.064
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OXYDECHLORINATED BOSUTINIB HYDROGEN SULFATE

SMILES

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

InChI

InChIKey=BOZGASVFFPFJMR-UHFFFAOYSA-N
InChI=1S/C26H30ClN5O7S/c1-31-6-8-32(9-7-31)5-4-10-38-24-13-20-18(11-22(24)36-2)26(17(15-28)16-29-20)30-21-14-23(37-3)25(12-19(21)27)39-40(33,34)35/h11-14,16H,4-10H2,1-3H3,(H,29,30)(H,33,34,35)

HIDE SMILES / InChI

Molecular Formula C26H30ClN5O7S
Molecular Weight 592.064
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 15:19:29 UTC 2023
Edited
by admin
on Thu Jul 06 15:19:29 UTC 2023
Record UNII
94F331LB1W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OXYDECHLORINATED BOSUTINIB HYDROGEN SULFATE
Common Name English
BOSUTINIB METABOLITE M11
Common Name English
Code System Code Type Description
FDA UNII
94F331LB1W
Created by admin on Thu Jul 06 15:19:29 UTC 2023 , Edited by admin on Thu Jul 06 15:19:29 UTC 2023
PRIMARY
PUBCHEM
119026017
Created by admin on Thu Jul 06 15:19:29 UTC 2023 , Edited by admin on Thu Jul 06 15:19:29 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
MINOR
PLASMA