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Vemurafenib

CAS 1029872-54-5C23H18ClF2N3O3SMW 489.9

Vemurafenib (CAS 1029872-54-5) — formula C23H18ClF2N3O3S, molecular weight 489.9; category organic chemicals.

Product Overview

CAS Number1029872-54-5
Molecular FormulaC23H18ClF2N3O3S
Molecular Weight489.9
Melting Point272°C
LogP5.1
ApplicationsUses: Antineoplastic, MEDICATION, Formulations, Preparations: Oral: Tablets, film-coated: 240 mg, Zelboraf (Genentech).
CategoryOrganic Chemicals

Applications

Documented applications: Uses: Antineoplastic, MEDICATION, Formulations, Preparations: Oral: Tablets, film-coated: 240 mg, Zelboraf (Genentech)..

Technical Profile

What this product is

Vemurafenib is a carbon-based organic compound with CAS registry number 1029872-54-5 and molecular formula C23H18ClF2N3O3S (molecular weight 489.9), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 1029872-54-5

Its molecular formula C23H18ClF2N3O3S comprises 23 C, 18 H, 1 Cl, 2 F, 3 N, 3 O, 1 S atoms.

Also known as: Vemurafenib · 维莫非尼

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of Vemurafenib?

The CAS registry number of Vemurafenib is 1029872-54-5.

What is the molecular formula and molecular weight of Vemurafenib?

Molecular formula C23H18ClF2N3O3S, molecular weight 489.9.

What other names is Vemurafenib known by?

It is also registered under: Vemurafenib, 维莫非尼.

What are the documented applications of Vemurafenib?

Recorded applications: Uses: Antineoplastic, MEDICATION, Formulations, Preparations: Oral: Tablets, film-coated: 240 mg, Zelboraf (Genentech)..

Which category does Vemurafenib belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for Vemurafenib (CAS 1029872-54-5), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number1029872-54-5
PubChem CID42611257
Molecular formulaC23H18ClF2N3O3S
IUPAC nameN-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
UNII (FDA)207SMY3FQT

Computed descriptors

Molecular Weight489.9
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass489.0725466
Monoisotopic Mass489.0725466
Topological Polar Surface Area100
Heavy Atom Count33

Physicochemical values on record

Melting Point272°C
Solubility<1 mg/mL
LogP5.1
Dissociation Constants7.1

Documented uses on record

    Vemurafenib is a selective inhibitor of BRAF kinase that is used in the therapy of patients with metastatic and advanced malignant melanoma. Vemurafenib therapy is commonly associated with transient elevations in serum aminotransferase during therapy and has been linked to rare, but occasionally severe cases of clinically apparent acute liver injury.Breast Feeding; Lactation; Antineoplastic Agents; Enzyme Inhibitors; Protein Kinase Inhibitors; Signal Transduction Inhibitors; Tyrosine Kinase Inhibitors;

    Synonyms and trade names

    Vemurafenib; 918504-65-1; Zelboraf; PLX-4032; PLX 4032; RG7204; RG 7204; RO 5185426; 207SMY3FQT; vemurafenibum; N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide; RG-7204; Ro 51-85426; RO-5185426; RO-51-85426; CHEBI:63637

    GHS hazard classification

    Reported hazard statementsH410 (100%), H302 (100%), H350 (100%), H361 (100%), H373 (100%), H413 (100%)

    H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

    P273, P391, and P501 (click each P-code to see the statement)

    What the public record says

    Vemurafenib · CAS 1029872-54-5 · C23H18ClF2N3O3S. UNII 207SMY3FQT. Melting Point: 272°C; Solubility: <1 mg/mL; LogP: 5.1.

    Physical description and handling notes

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

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