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Details

Stereochemistry ACHIRAL
Molecular Formula C22H18F3N5O2S2
Molecular Weight 505.5388
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESMETHYL DABRAFENIB

SMILES

CC(C)c1nc(-c2cccc(c2F)NS(=O)(=O)c3c(cccc3F)F)c(-c4cc[nH]c(=N)n4)s1

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

Molecular Formula C22H18F3N5O2S2
Molecular Weight 505.5388
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 07:57:29 UTC 2021
Edited
by admin
on Sat Jun 26 07:57:29 UTC 2021
Record UNII
3EHQ1EWE0D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESMETHYL DABRAFENIB
Common Name English
DABRAFENIB METABOLITE M8
Common Name English
GSK2167542
Code English
BENZENESULFONAMIDE, N-(3-(5-(2-AMINO-4-PYRIMIDINYL)-2-(1-METHYLETHYL)-4-THIAZOLYL)-2-FLUOROPHENYL)-2,6-DIFLUORO-
Systematic Name English
GSK-2167542
Code English
Code System Code Type Description
FDA UNII
3EHQ1EWE0D
Created by admin on Sat Jun 26 07:57:29 UTC 2021 , Edited by admin on Sat Jun 26 07:57:29 UTC 2021
PRIMARY
CAS
1195765-47-9
Created by admin on Sat Jun 26 07:57:29 UTC 2021 , Edited by admin on Sat Jun 26 07:57:29 UTC 2021
PRIMARY
PUBCHEM
58345847
Created by admin on Sat Jun 26 07:57:29 UTC 2021 , Edited by admin on Sat Jun 26 07:57:29 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR