Bemesetron

CAS Registry Number®

40796-97-2

CAS Name

Bemesetron

Molecular Formula

C15H17Cl2NO2

Molecular Mass

314.21

Cite this Page

Bemesetron.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=40796-97-2 (retrieved 2024-11-22) (CAS RN: 40796-97-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    165 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3/t12-,13+,14+

InChIKey

InChIKey=MNJNPLVXBISNSX-WDNDVIMCNA-N

SMILES

O(C(=O)C1=CC(Cl)=CC(Cl)=C1)[C@H]2C[C@@]3(N(C)[C@](C2)(CC3)[H])[H]

Canonical SMILES

O=C(OC1CC2N(C)C(CC2)C1)C=3C=C(Cl)C=C(Cl)C3

Other Names for this Substance

  • Benzoic acid, 3,5-dichloro-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
  • Benzoic acid, 3,5-dichloro-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-
  • MDL 72222
  • Bemesetron

CAS INSIGHTSTM
Targeted protein degrader structure, illustration