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Vemurafenib-[d7]

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General Information
Catalog: BLP-012651
CAS: 1365986-73-7
Molecular Formula: C23H11D7ClF2N3O3S
Molecular Weight: 496.97

Chemical Structure

Description	Vemurafenib-[d7] is the labelled analogue of Vemurafenib, which is a B-Raf enzyme inhibitor used for the treatment of late-stage melanoma.
Synonyms	Vemurafenib D7
IUPAC Name	N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-1,1,2,2,3,3,3-heptadeuteriopropane-1-sulfonamide
Related CAS	1029872-54-5 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])S(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F
Canonical SMILES	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F
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)/i1D3,2D2,9D2
InChI Key	GPXBXXGIAQBQNI-TXFBWYMTSA-N
Boiling Point	711.4±70.0 °C at 760 mmHg
Density	1.5±0.1 g/cm3