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

Details

Stereochemistry ACHIRAL
Molecular Formula C31H33FN6O3.ClH
Molecular Weight 593.091
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PEXMETINIB HYDROCHLORIDE

SMILES

Cl.CC1=CC=C(C=C1)N2N=C(C=C2NC(=O)NCC3=CC(F)=CC=C3OC4=CC5=C(C=C4)N(CCO)N=C5)C(C)(C)C

InChI

InChIKey=JHEYROZAEFXENN-UHFFFAOYSA-N
InChI=1S/C31H33FN6O3.ClH/c1-20-5-8-24(9-6-20)38-29(17-28(36-38)31(2,3)4)35-30(40)33-18-22-15-23(32)7-12-27(22)41-25-10-11-26-21(16-25)19-34-37(26)13-14-39;/h5-12,15-17,19,39H,13-14,18H2,1-4H3,(H2,33,35,40);1H

HIDE SMILES / InChI

Approval Year

Name Type Language
PEXMETINIB HYDROCHLORIDE
Common Name English
UREA, N-(3-(1,1-DIMETHYLETHYL)-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-YL)-N'-((5-FLUORO-2-((1-(2-HYDROXYETHYL)-1H-INDAZOL-5-YL)OXY)PHENYL)METHYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
ARRY-614 HYDROCHLORIDE
Code English
Code System Code Type Description
FDA UNII
182179586B
Created by admin on Sat Dec 16 09:58:31 UTC 2023 , Edited by admin on Sat Dec 16 09:58:31 UTC 2023
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CAS
1416216-01-7
Created by admin on Sat Dec 16 09:58:31 UTC 2023 , Edited by admin on Sat Dec 16 09:58:31 UTC 2023
PRIMARY
PUBCHEM
71712232
Created by admin on Sat Dec 16 09:58:31 UTC 2023 , Edited by admin on Sat Dec 16 09:58:31 UTC 2023
PRIMARY