Alisertib

CAS Registry Number®

1028486-01-2
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CAS Name

Alisertib

Molecular Formula

C27H20ClFN4O4

Molecular Mass

518.92

Cite this Page

Alisertib.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1028486-01-2 (retrieved 2024-03-02) (CAS RN: 1028486-01-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)

InChIKey

InChIKey=ZLHFILGSQDJULK-UHFFFAOYSA-N

SMILES

ClC=1C=C2C(=NCC=3C(C2=CC1)=NC(NC4=CC(OC)=C(C(O)=O)C=C4)=NC3)C5=C(OC)C=CC=C5F

Canonical SMILES

O=C(O)C1=CC=C(C=C1OC)NC=2N=CC3=C(N2)C=4C=CC(Cl)=CC4C(=NC3)C=5C(F)=CC=CC5OC

Other Names for this Substance

  • Benzoic acid, 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxy-
  • 4-[[9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic acid
  • MLN 8237
  • Alisertib
  • 4-[[9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-yl]amino]-2-methoxybenzoic acid

Deleted or Replaced CAS Registry Numbers

1186318-95-5

CAS INSIGHTSTM
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