U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C22H18F3N5O2S2
Molecular Weight 505.536
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESMETHYL DABRAFENIB

SMILES

CC(C)C1=NC(=C(S1)C2=NC(N)=NC=C2)C3=CC=CC(NS(=O)(=O)C4=C(F)C=CC=C4F)=C3F

InChI

InChIKey=MQEHPCURISZMGR-UHFFFAOYSA-N
InChI=1S/C22H18F3N5O2S2/c1-11(2)21-29-18(19(33-21)16-9-10-27-22(26)28-16)12-5-3-8-15(17(12)25)30-34(31,32)20-13(23)6-4-7-14(20)24/h3-11,30H,1-2H3,(H2,26,27,28)

HIDE SMILES / InChI

Approval Year