Chemical Properties of Spiperone (CAS 749-02-0)

Spiperone

InChI
InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
InChI Key
DKGZKTPJOSAWFA-UHFFFAOYSA-N
Formula
C23H26FN3O2
SMILES
O=C(CCCN1CCC2(CC1)C(O)=NCN2c1ccccc1)c1ccc(F)cc1
Molecular Weight1
395.47
CAS
749-02-0
Other Names
  • 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-
  • 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[3-(p-fluorobenzoyl)propyl]-1-phenyl-
  • R 5147
  • Spiroperidol
  • Spiropitan
  • E 525
  • 8-(3-(p-Fluorobenzoyl)propyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one
  • Butyrophenone, 4'-fluoro-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decan-8-yl)-
  • 8-(3-p-Fluorobenzoyl-1-propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decane
  • NSC 170983
  • Spiroperidone
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Physical Properties

Property Value Unit Source
ω 0.8741 Relay (1.0) Calculated Property
ΔfG° 168.39 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -262.58 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 160.94 kJ/mol Relay (1.0) Calculated Property
IE 7.69 eV Relay (1.0) Calculated Property
log10WS -3.92 Relay (1.0) Calculated Property
logPoct/wat 4.057 Crippen Calculated Property
McVol 300.540 ml/mol McGowan Calculated Property
Pc 1482.57 kPa Relay (1.0-beta) Calculated Property
Inp [3316.00; 3316.00]   Show Hide
Inp 3316.00 NIST
Inp 3316.00 NIST
Tboil 731.11 K Relay (1.0) Calculated Property
Tc 1053.10 K Relay (1.0) Calculated Property
Tfus 443.46 K Relay (1.0) Calculated Property
Vc 1.050 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

risperidone. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to Spiperone.

Sources

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