Octoclothepin maleate

CAS Registry Number®

4789-68-8

CAS Name

Octoclothepin maleate

Molecular Formula

C19H21ClN2S.C4H4O4

Cite this Page

Octoclothepin maleate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4789-68-8 (retrieved 2024-11-21) (CAS RN: 4789-68-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H21ClN2S.C4H4O4/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19;5-3(6)1-2-4(7)8/h2-7,13,17H,8-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

InChIKey=GWKBZIADWSOIQV-BTJKTKAUSA-N

SMILES

ClC=1C=C2C(CC=3C(SC2=CC1)=CC=CC3)N4CCN(C)CC4.C(=C\C(O)=O)\C(O)=O

Canonical SMILES

O=C(O)C=CC(=O)O.ClC1=CC=C2SC=3C=CC=CC3CC(C2=C1)N4CCN(C)CC4

Other Names for this Substance

  • Piperazine, 1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methyl-, (2Z)-2-butenedioate (1:1)
  • Piperazine, 1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methyl-, maleate (1:1)
  • Piperazine, 1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)
  • Dibenzo[b,f]thiepin, piperazine deriv.
  • Octoclothepin maleate

Deleted or Replaced CAS Registry Numbers

41931-03-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration