Bosutinib monohydrate

CAS 918639-08-4C26H31Cl2N5O4MW 548.5

Bosutinib monohydrate (CAS 918639-08-4) — formula C26H31Cl2N5O4, molecular weight 548.5.

Product Overview

CAS Number	918639-08-4
Molecular Formula	C26H31Cl2N5O4
Molecular Weight	548.5

Technical Profile

What this product is

Bosutinib monohydrate is a chemical compound with CAS registry number 918639-08-4 and molecular formula C26H31Cl2N5O4 (molecular weight 548.5).

Identification

CAS number: 918639-08-4

Its molecular formula C26H31Cl2N5O4 comprises 26 C, 31 H, 2 Cl, 5 N, 4 O atoms.

Also known as: Bosutinib monohydrate · 伯舒替尼一水合物

Frequently Asked Questions

What is the CAS number of Bosutinib monohydrate?

The CAS registry number of Bosutinib monohydrate is 918639-08-4.

What is the molecular formula and molecular weight of Bosutinib monohydrate?

Molecular formula C26H31Cl2N5O4, molecular weight 548.5.

What other names is Bosutinib monohydrate known by?

It is also registered under: Bosutinib monohydrate, 伯舒替尼一水合物.

PubChem Public Data

Independent reference data for Bosutinib monohydrate (CAS 918639-08-4), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number	918639-08-4
PubChem CID	11990828
Molecular formula	C26H31Cl2N5O4
IUPAC name	4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile;hydrate
UNII (FDA)	844ZJE6I55

Computed descriptors

Molecular Weight	548.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	547.1753099
Monoisotopic Mass	547.1753099
Topological Polar Surface Area	83.9
Heavy Atom Count	37

Synonyms and trade names

Bosutinib monohydrate; 918639-08-4; bosutinib hydrate; SKI-606 monohydrate; bosutinib.H2O; UNII-844ZJE6I55; Bosutinib (as monohydrate); 844ZJE6I55; CHEBI:68533; DTXSID20238722; RefChem:58902; DTXCID70161213; 380843-75-4 , anhydride; Bosutinib (hydrate); Bosutinib hydrate (JAN); BOSUTINIB HYDRATE [JAN]

GHS hazard classification

Reported hazard statements	H317 (100%), H400 (100%), H410 (100%)

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

What the public record says

Bosutinib monohydrate · CAS 918639-08-4 · C26H31Cl2N5O4. UNII 844ZJE6I55.

Source: PubChem / Wikidata; the batch COA governs where values differ.