Entrectinib

CAS Registry Number®

1108743-60-7
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CAS Name

Entrectinib

Molecular Formula

C31H34F2N6O2

Molecular Mass

560.64

Cite this Page

Entrectinib.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1108743-60-7 (retrieved 2024-03-02) (CAS RN: 1108743-60-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)

InChIKey

InChIKey=HAYYBYPASCDWEQ-UHFFFAOYSA-N

SMILES

N(C(=O)C1=C(NC2CCOCC2)C=C(C=C1)N3CCN(C)CC3)C=4C=5C(NN4)=CC=C(CC6=CC(F)=CC(F)=C6)C5

Canonical SMILES

O=C(NC1=NNC=2C=CC(=CC12)CC=3C=C(F)C=C(F)C3)C4=CC=C(C=C4NC5CCOCC5)N6CCN(C)CC6

Other Names for this Substance

  • Benzamide, N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methyl-1-piperazinyl)-2-[(tetrahydro-2H-pyran-4-yl)amino]-
  • N-[5-[(3,5-Difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methyl-1-piperazinyl)-2-[(tetrahydro-2H-pyran-4-yl)amino]benzamide
  • Entrectinib
  • RXDX 101
  • NMS-E 628

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