PEXMETINIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H33FN6O3
Molecular Weight	556.6305
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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=LNMRSSIMGCDUTP-UHFFFAOYSA-N

InChI=1S/C31H33FN6O3/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)

HIDE SMILES / InChI

Molecular Formula	C31H33FN6O3
Molecular Weight	556.6305
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 Dec 16 09:46:40 UTC 2023` Edited by `admin` on `Sat Dec 16 09:46:40 UTC 2023`
Record UNII	3750D0U8B5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PEXMETINIB

Official Name

English

ARRY-614

Code

English

Pexmetinib [WHO-DD]

Common Name

English

pexmetinib [INN]

Common Name

English

N-(3-TERT-BUTYL-1-P-TOLYL-1H-PYRAZOL-5-YL)-N'-(5-FLUORO-2-(1-(2-HYDROXYETHYL)-1H-INDAZOL-5-YLOXY)BENZYL)UREA

Systematic 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)-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C129825