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Sorafenib N-Oxide

Sorafenib N-Oxide structure

CAS No:
583840-03-3
Formula:
C21H13ClD3F3N4O4
Chemical Name:
Sorafenib N-Oxide
Synonyms:
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1-oxidopyridin-1-ium-2-carboxamide;
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

A niacinamide and phenylurea derivative that inhibits multiple intracellular and cell surface kinases thought to be involved in ANGIOGENESIS, including RAF KINASES and VEGF RECEPTORS. It is used in the treatment of advanced RENAL CELL CARCINOMA and HEPATOCELLULAR CARCINOMA, and for treatment of THYROID CARCINOMA refractory to radioactive iodine therapy.

Sorafenib N-Oxide Basic Attributes

Molecular Weight：

483.84300

Exact Mass：

480.0812172

UNII：

5XYK65KIGD

DSSTox ID：

DTXSID60431376

Characteristics

PSA：

104.92000

XLogP3：

6.12010

Density：

1.455g/cm3

Melting Point：

220-222ºC

Boiling Point：

591.655ºC at 760 mmHg

Flash Point：

311.622ºC

Refractive Index：

1.601

Storage Conditions：

-20ºC Freezer

Drug Information

MeSH：

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)|Agents that inhibit PROTEIN KINASES. (See all compounds classified as Protein Kinase Inhibitors.)

MeSH Entry Terms：

4-(4-(3-(4-Chloro-3-trifluoromethylphenyl)ureido)phenoxy)pyridine-2-carboxylic acid methyamide-4-methylbenzenesulfonate

Computed Properties

Molecular Weight:480.8
XLogP3:3.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:480.0812172
Monoisotopic Mass:480.0812172
Topological Polar Surface Area:105
Heavy Atom Count:33
Complexity:678
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Sorafenib N Oxide

CAS No.: 583840-03-3

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