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Details

Stereochemistry ACHIRAL
Molecular Formula C30H32F2N6O2
Molecular Weight 546.6109
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESMETHYL ENTRECTINIB

SMILES

FC1=CC(CC2=CC=C3NN=C(NC(=O)C4=C(NC5CCOCC5)C=C(C=C4)N6CCNCC6)C3=C2)=CC(F)=C1

InChI

InChIKey=SKXAZUOZHANICG-UHFFFAOYSA-N
InChI=1S/C30H32F2N6O2/c31-21-14-20(15-22(32)17-21)13-19-1-4-27-26(16-19)29(37-36-27)35-30(39)25-3-2-24(38-9-7-33-8-10-38)18-28(25)34-23-5-11-40-12-6-23/h1-4,14-18,23,33-34H,5-13H2,(H2,35,36,37,39)

HIDE SMILES / InChI

Approval Year

Name Type Language
N-DESMETHYL ENTRECTINIB
Common Name English
N-(5-((3,5-DIFLUOROPHENYL)METHYL)-1H-INDAZOL-3-YL)-4-(1-PIPERAZINYL)-2-((TETRAHYDRO-2H-PYRAN-4-YL)AMINO)BENZAMIDE
Systematic Name English
ENTRECTINIB METABOLITE M5
Common Name English
BENZAMIDE, N-(5-((3,5-DIFLUOROPHENYL)METHYL)-1H-INDAZOL-3-YL)-4-(1-PIPERAZINYL)-2-((TETRAHYDRO-2H-PYRAN-4-YL)AMINO)-
Systematic Name English
Code System Code Type Description
FDA UNII
RHW80OZE1E
Created by admin on Thu Jul 06 20:47:53 UTC 2023 , Edited by admin on Thu Jul 06 20:47:53 UTC 2023
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PUBCHEM
25176014
Created by admin on Thu Jul 06 20:47:53 UTC 2023 , Edited by admin on Thu Jul 06 20:47:53 UTC 2023
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CAS
1108743-80-1
Created by admin on Thu Jul 06 20:47:53 UTC 2023 , Edited by admin on Thu Jul 06 20:47:53 UTC 2023
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