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Details

Stereochemistry ACHIRAL
Molecular Formula C26H29Cl2N5O3.H2O
Molecular Weight 548.461
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BOSUTINIB MONOHYDRATE

SMILES

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

InChI

InChIKey=BXPOSPOKHGNMEP-UHFFFAOYSA-N
InChI=1S/C26H29Cl2N5O3.H2O/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27;/h11-14,16H,4-10H2,1-3H3,(H,30,31);1H2

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
BOSUTINIB MONOHYDRATE
ORANGE BOOK  
Common Name English
BOSUTINIB MONOHYDRATE [ORANGE BOOK]
Common Name English
BOSUTINIB (AS MONOHYDRATE) [EMA EPAR]
Common Name English
SKI-606 MONOHYDRATE
Code English
3-QUINOLINECARBONITRILE, 4-((2,4-DICHLORO-5-METHOXYPHENYL)AMINO)-6-METHOXY-7-(3-(4-METHYL-1-PIPERAZINYL)PROPOXY)-, HYDRATE (1:1)
Systematic Name English
BOSUTINIB (AS MONOHYDRATE)
EMA EPAR  
Common Name English
BOSUTINIB HYDRATE [JAN]
Common Name English
BOSUTINIB HYDRATE
JAN  
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C155700
Created by admin on Fri Dec 15 15:35:41 UTC 2023 , Edited by admin on Fri Dec 15 15:35:41 UTC 2023
Code System Code Type Description
EVMPD
SUB120769
Created by admin on Fri Dec 15 15:35:41 UTC 2023 , Edited by admin on Fri Dec 15 15:35:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID20238722
Created by admin on Fri Dec 15 15:35:41 UTC 2023 , Edited by admin on Fri Dec 15 15:35:41 UTC 2023
PRIMARY
DRUG BANK
DBSALT002837
Created by admin on Fri Dec 15 15:35:41 UTC 2023 , Edited by admin on Fri Dec 15 15:35:41 UTC 2023
PRIMARY
PUBCHEM
11990828
Created by admin on Fri Dec 15 15:35:41 UTC 2023 , Edited by admin on Fri Dec 15 15:35:41 UTC 2023
PRIMARY
DAILYMED
844ZJE6I55
Created by admin on Fri Dec 15 15:35:41 UTC 2023 , Edited by admin on Fri Dec 15 15:35:41 UTC 2023
PRIMARY
CAS
918639-08-4
Created by admin on Fri Dec 15 15:35:41 UTC 2023 , Edited by admin on Fri Dec 15 15:35:41 UTC 2023
PRIMARY
SMS_ID
100000144021
Created by admin on Fri Dec 15 15:35:41 UTC 2023 , Edited by admin on Fri Dec 15 15:35:41 UTC 2023
PRIMARY
CHEBI
68533
Created by admin on Fri Dec 15 15:35:41 UTC 2023 , Edited by admin on Fri Dec 15 15:35:41 UTC 2023
PRIMARY
ChEMBL
CHEMBL288441
Created by admin on Fri Dec 15 15:35:41 UTC 2023 , Edited by admin on Fri Dec 15 15:35:41 UTC 2023
PRIMARY
FDA UNII
844ZJE6I55
Created by admin on Fri Dec 15 15:35:41 UTC 2023 , Edited by admin on Fri Dec 15 15:35:41 UTC 2023
PRIMARY
RXCUI
1314319
Created by admin on Fri Dec 15 15:35:41 UTC 2023 , Edited by admin on Fri Dec 15 15:35:41 UTC 2023
PRIMARY RxNorm
NCI_THESAURUS
C154440
Created by admin on Fri Dec 15 15:35:41 UTC 2023 , Edited by admin on Fri Dec 15 15:35:41 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of BOSUTINIB
NIH
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