4-[3-Fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo[b,f]thiepin-10-yl]-1-piperazineethanol

CAS Registry Number®

70931-18-9

CAS Name

4-[3-Fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo[b,f]thiepin-10-yl]-1-piperazineethanol

Molecular Formula

C23H29FN2OS

Molecular Mass

400.55

Cite this Page

4-[3-Fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo[b,f]thiepin-10-yl]-1-piperazineethanol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70931-18-9 (retrieved 2024-11-22) (CAS RN: 70931-18-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    92-95 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C23H29FN2OS/c1-16(2)17-4-6-22-20(13-17)21(26-9-7-25(8-10-26)11-12-27)14-18-3-5-19(24)15-23(18)28-22/h3-6,13,15-16,21,27H,7-12,14H2,1-2H3

InChIKey

InChIKey=XDBMBHVYXPBOPL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

FC1=CC=C2C(SC3=CC=C(C=C3C(N4CCN(CCO)CC4)C2)C(C)C)=C1

Other Names for this Substance

  • 1-Piperazineethanol, 4-[3-fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo[b,f]thiepin-10-yl]-
  • Dibenzo[b,f]thiepin, 1-piperazineethanol deriv.
  • 4-[3-Fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo[b,f]thiepin-10-yl]-1-piperazineethanol
  • Isofloxythepin

Deleted or Replaced CAS Registry Numbers

106754-53-4, 117855-86-4

CAS INSIGHTSTM
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