U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

Approval Year

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 Sat Dec 16 09:48:17 GMT 2023 , Edited by admin on Sat Dec 16 09:48:17 GMT 2023
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PUBCHEM
119026017
Created by admin on Sat Dec 16 09:48:17 GMT 2023 , Edited by admin on Sat Dec 16 09:48:17 GMT 2023
PRIMARY