Chemical Properties of Fluspirilene (CAS 1841-19-6)

Fluspirilene

InChI
InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)
InChI Key
QOYHHIBFXOOADH-UHFFFAOYSA-N
Formula
C29H31F2N3O
SMILES
O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2
Molecular Weight1
475.57
CAS
1841-19-6
Other Names
  • 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-
  • 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4,4-bis(p-fluorophenyl)butyl]-1-phenyl-
  • Fluspiriline
  • Imap
  • McN-JR 6218
  • R 6218
  • 8-(4,4-Bis(p-fluorophenyl)butyl)-1-phenyl-1,3,8-triazaspiro(4,5)decan-4-one
  • 1-Phenyl-4-oxo-8-(4,4-bis(4-fluorophenyl)butyl)-1,3,8-triazaspiro(4,5)decane
  • Redeptin
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Physical Properties

Property Value Unit Source
ω 0.8456 Relay (1.0) Calculated Property
ΔfG° 271.28 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -212.85 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 165.32 kJ/mol Relay (1.0) Calculated Property
IE 7.87 eV Relay (1.0) Calculated Property
log10WS -5.57 Relay (1.0) Calculated Property
logPoct/wat 5.305 Crippen Calculated Property
McVol 361.520 ml/mol McGowan Calculated Property
Pc 756.90 kPa Relay (1.0-beta) Calculated Property
Tboil 795.78 K Relay (1.0) Calculated Property
Tc 1134.09 K Relay (1.0) Calculated Property
Tfus 442.91 K Relay (1.0) Calculated Property
Vc 1.272 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

ethyl eburnamenine-14-carboxylate. Strychnine. 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 Fluspirilene.

Sources

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