4-Piperidinecarboxamide, 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-, hydrochloride (1:1)

CAS Registry Number®

686347-12-6

CAS Name

4-Piperidinecarboxamide, 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-, hydrochloride (1:1)

Molecular Formula

C25H25Cl2N7O.ClH

Cite this Page

4-Piperidinecarboxamide, 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-, hydrochloride (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=686347-12-6 (retrieved 2024-11-22) (CAS RN: 686347-12-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    275-276 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H25Cl2N7O.ClH/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27;/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35);1H

InChIKey

InChIKey=KPYUQCJBZGQHPL-UHFFFAOYSA-N

SMILES

ClC1=C(C=2N(C=3C(N2)=C(N=CN3)N4CCC(NCC)(C(N)=O)CC4)C5=CC=C(Cl)C=C5)C=CC=C1.Cl

Canonical SMILES

Cl.O=C(N)C1(NCC)CCN(C=2N=CN=C3C2N=C(C=4C=CC=CC4Cl)N3C5=CC=C(Cl)C=C5)CC1

Other Names for this Substance

  • 4-Piperidinecarboxamide, 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-, hydrochloride (1:1)
  • 4-Piperidinecarboxamide, 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-, monohydrochloride
  • Otenabant hydrochloride
  • CP 945598
  • CP 945598-01

Deleted or Replaced CAS Registry Numbers

919516-56-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration