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-piperazineethanolMolecular Formula
C23H29FN2OSMolecular Mass
400.55Cite 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 ) (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