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Details

Stereochemistry ACHIRAL
Molecular Formula C26H29Cl2N5O3.CH4O
Molecular Weight 562.488
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Bosutinib methanoate

SMILES

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

InChI

InChIKey=KBLGKECLADKUHT-UHFFFAOYSA-N
InChI=1S/C26H29Cl2N5O3.CH4O/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;1-2/h11-14,16H,4-10H2,1-3H3,(H,30,31);2H,1H3

HIDE SMILES / InChI

Molecular Formula C26H29Cl2N5O3
Molecular Weight 530.446
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula CH4O
Molecular Weight 32.0419
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 Sat Dec 16 09:30:19 UTC 2023
Edited
by admin
on Sat Dec 16 09:30:19 UTC 2023
Record UNII
EZM4KL4P89
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Bosutinib methanoate
Common Name English
3-Quinolinecarbonitrile, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-, compd. with methanol (1:1)
Common Name English
Code System Code Type Description
FDA UNII
EZM4KL4P89
Created by admin on Sat Dec 16 09:30:20 UTC 2023 , Edited by admin on Sat Dec 16 09:30:20 UTC 2023
PRIMARY
PUBCHEM
46780884
Created by admin on Sat Dec 16 09:30:20 UTC 2023 , Edited by admin on Sat Dec 16 09:30:20 UTC 2023
PRIMARY
CAS
918639-10-8
Created by admin on Sat Dec 16 09:30:20 UTC 2023 , Edited by admin on Sat Dec 16 09:30:20 UTC 2023
PRIMARY
EPA CompTox
DTXSID7049051
Created by admin on Sat Dec 16 09:30:20 UTC 2023 , Edited by admin on Sat Dec 16 09:30:20 UTC 2023
PRIMARY
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