Chemical Properties of Remoxipride (CAS 80125-14-0)

Remoxipride

InChI
InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)
InChI Key
GUJRSXAPGDDABA-UHFFFAOYSA-N
Formula
C16H23BrN2O3
SMILES
CCN1CCCC1CNC(=O)c1c(OC)ccc(Br)c1OC
Molecular Weight1
371.27
CAS
80125-14-0
Other Names
  • Benzamide, 3-bromo-2,6-dimethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)-, hydrochloride, (S)-(-)-
  • (S)-(-)-2-((3-Bromo-2,6-dimethoxybenzamido)methyl)-1-ethylpyrrolidine hydrochloride
  • (S)-(-)-3-Bromo-2,6-dimethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)benzamide hydrochloride
  • Benzamide, 3-bromo-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dimethoxy-, (S)-
  • ((-))-(S)-3-Bromo-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dimethoxybenzamide
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Physical Properties

Property Value Unit Source
ω 0.7921 Relay (1.0) Calculated Property
ΔfG° -32.50 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -413.15 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 102.58 kJ/mol Relay (1.0) Calculated Property
IE 7.91 eV Relay (1.0) Calculated Property
log10WS -3.04 Relay (1.0) Calculated Property
logPoct/wat 2.680 Crippen Calculated Property
McVol 252.450 ml/mol McGowan Calculated Property
Pc 1541.94 kPa Relay (1.0-beta) Calculated Property
Tboil 651.08 K Relay (1.0) Calculated Property
Tc 928.88 K Relay (1.0) Calculated Property
Tfus 384.74 K Relay (1.0) Calculated Property
Vc 0.881 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

FLECAINIDE, M(O-DESALKYL-), AC. Sulpiride. 4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide. Glyceollin V, TMS. Tetrabenazine M (desmethyl-HO-), monoacetylated. Glyceollin III, TMS. Sultopride. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-isopropylsilyl. Normorphine TMS. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl. Ajmaline. Galantamin.

Find more compounds similar to Remoxipride.

Sources

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