BOSUTINIB MONOHYDRATE

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 Search

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

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	H2O
Molecular Weight	18.0153
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 `Fri Dec 15 15:35:41 UTC 2023` Edited by `admin` on `Fri Dec 15 15:35:41 UTC 2023`
Record UNII	844ZJE6I55
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BOSUTINIB MONOHYDRATE

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)

Common Name

English

BOSUTINIB HYDRATE [JAN]

Common Name

English

BOSUTINIB HYDRATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C155700