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Details

Stereochemistry ACHIRAL
Molecular Formula C30H32F2N6O2
Molecular Weight 546.612
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESMETHYL ENTRECTINIB

SMILES

c1cc2c(cc1Cc3cc(cc(c3)F)F)c(=NC(=O)c4ccc(cc4NC5CCOCC5)N6CCNCC6)[nH][nH]2

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

Molecular Formula C30H32F2N6O2
Molecular Weight 546.612
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 03:20:31 UTC 2021
Edited
by admin
on Sat Jun 26 03:20:31 UTC 2021
Record UNII
RHW80OZE1E
Record Status Validated (UNII)
Record Version
  • Download
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 Sat Jun 26 03:20:31 UTC 2021 , Edited by admin on Sat Jun 26 03:20:31 UTC 2021
PRIMARY
PUBCHEM
25176014
Created by admin on Sat Jun 26 03:20:31 UTC 2021 , Edited by admin on Sat Jun 26 03:20:31 UTC 2021
PRIMARY
CAS
1108743-80-1
Created by admin on Sat Jun 26 03:20:31 UTC 2021 , Edited by admin on Sat Jun 26 03:20:31 UTC 2021
PRIMARY
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