Octoclothepin

CAS Registry Number®

13448-22-1

CAS Name

Octoclothepin

Molecular Formula

C19H21ClN2S

Molecular Mass

344.90

Cite this Page

Octoclothepin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13448-22-1 (retrieved 2024-11-22) (CAS RN: 13448-22-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    99-101 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H21ClN2S/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/h2-7,13,17H,8-12H2,1H3

InChIKey

InChIKey=XRYLGRGAWQSVQW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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-
  • Dibenzo[b,f]thiepin, piperazine deriv.
  • 1-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine
  • Octoclothepine
  • Octoclothepin

View All

Deleted or Replaced CAS Registry Numbers

41931-02-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration