Vemurafenib

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Systematic / IUPAC Name: N-(3-{[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-1-propanesulfonamide

ID: Reference7604

Other Names: N-(3-{[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide;
N-(3-{[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-1-propanesulfonamide ;
N-{3-[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide;
1-Propanesulfonamide, N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-B]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-

Formula: C23H18ClF2N3O3S

Class: Therapeutics/Prescription Drugs Drugs of Abuse/Illegal Drugs

Spectral Data

Vemurafenib mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 108
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/21/2018 12:54:34 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
InChI Key GPXBXXGIAQBQNI-UHFFFAOYSA-N
Canonical SMILES CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=C(C=C23)C4=CC=C(C=C4)Cl)F
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Other Names N-(3-{[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide;
N-(3-{[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-1-propanesulfonamide ;
N-{3-[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide;
1-Propanesulfonamide, N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-B]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-

In Other Databases

KEGG D09996
PubChem 42611257
ChemSpider 24747352
Wikipedia Vemurafenib
ChEMBL CHEMBL1229517
DrugBank DB08881
ChEBI CHEBI:63637