Oxyprothepine

CAS Registry Number®

29604-16-8
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CAS Name

Oxyprothepine

Molecular Formula

C22H28N2OS2

Molecular Mass

400.60

Cite this Page

Oxyprothepine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29604-16-8 (retrieved 2024-05-19) (CAS RN: 29604-16-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    94-96 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C22H28N2OS2/c1-26-18-7-8-22-19(16-18)20(15-17-5-2-3-6-21(17)27-22)24-12-10-23(11-13-24)9-4-14-25/h2-3,5-8,16,20,25H,4,9-15H2,1H3

InChIKey

InChIKey=HQOCWPHRUQRXEC-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

OCCCN1CCN(CC1)C2C3=CC(SC)=CC=C3SC=4C=CC=CC4C2

Other Names for this Substance

  • 1-Piperazinepropanol, 4-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-
  • Dibenzo[b,f]thiepin, 1-piperazinepropanol deriv.
  • 4-[10,11-Dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-1-piperazinepropanol
  • Oxyprothepin
  • Oxyprothepine

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