Chemical Properties of Naltrexone (CAS 16590-41-3)

Naltrexone

InChI
InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2
InChI Key
DQCKKXVULJGBQN-UHFFFAOYSA-N
Formula
C20H23NO4
SMILES
O=C1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5
Molecular Weight1
341.40
CAS
16590-41-3
Other Names
  • Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-, (5«alpha»)-
  • Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-«alpha»-epoxy-3,14-dihydroxy-
  • 17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-one
  • N-Cyclopropylmethyl-14-hydroxydihydromorphinone
  • N-Cyclopropylmethylnoroxymorphone
  • EN 1639
  • EN 1939
  • UM-792
  • 17-(Cyclopropylmethyl)-4,5«alpha»-epoxy-3,14-dihydroxymorphinan-6-one
  • ReVia
  • Vivitrex
  • Vivitrol
  • 17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-morphinan-6-one (naltrexone)
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Physical Properties

Property Value Unit Source
logPoct/wat 1.525 Crippen Calculated Property
McVol 243.760 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH [14.80; 15.64] kJ/mol [448.20; 448.90] Show Hide
ΔfusH 15.64 kJ/mol 448.20 NIST
ΔfusH 14.80 kJ/mol 448.90 NIST

Similar Compounds

Oxycodone. Oxycodone tms derivative. Oxymorphone. Nalbuphine, O,O,O-tris(trimethylsilyl) deriv.. Oxycodone, trimethylsilyl ether. Naloxone. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5«alpha»)-. Naloxone, bis(trimethylsilyl) ether. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. Oxymorphone, bis(trimethylsilyl) ether. Methysergide. Ethylmorphine. N6-(cyclotetramethylene-tertbutylsilyl)-Adenosine, 2',3',5'-tris-O-TBDMS. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Galantamin.

Find more compounds similar to Naltrexone.

Sources

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