Chemical Properties of Carteolol hydroxy, acetylated

Carteolol hydroxy, acetylated

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InChI
InChI=1S/C23H32N2O7/c1-14(26)25(23(4,5)6)12-11-17(31-15(2)27)13-30-19-8-9-20(32-16(3)28)22-18(19)7-10-21(29)24-22/h8-9,17H,7,10-13H2,1-6H3,(H,24,29)
InChI Key
RUQKNCGDKVIFJX-UHFFFAOYSA-N
Formula
C23H32N2O7
SMILES
CC(=O)Oc1ccc(OCC(CCN(C(C)=O)C(C)(C)C)OC(C)=O)c2c1NC(=O)CC2
Molecular Weight1
448.51
Sources

Physical Properties

Property Value Unit Source
Δf -342.80 kJ/mol Joback Calculated Property
Δfgas -1009.74 kJ/mol Joback Calculated Property
Δfus 52.71 kJ/mol Joback Calculated Property
Δvap 110.28 kJ/mol Joback Calculated Property
logPoct/wat 2.84 Crippen Calculated Property
Pc 1342.74 kPa Joback Calculated Property
Tboil 1136.95 K Joback Calculated Property
Tc 1391.95 K Joback Calculated Property
Tfus 841.23 K Joback Calculated Property
Vc 1.28 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1187.17 J/mol×K 1136.95 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
>CH- 1
-CH3 6
>C=O (nonring) 3
=CH- (ring) 2
>N- 1
>NH (ring) 1
=C< (ring) 4
-CH2- 3
>C< 1
>C=O (ring) 1
-CH2- (ring) 2

Similar Compounds

Carteolol, acetylated. Carteolol, PFB-TMS. Nalmefene, bis(trifluoroacetate). Brucine. Codeinone, 14-hydroxy-. AJMALINE, M(HO-), AC. Naloxone, bis(trimethylsilyl) ether. Nalbuphine, O,O,O-tris(trimethylsilyl) deriv.. Thebaine. Strychnine. Oxymorphone, bis(trimethylsilyl) ether. Acetimide, N-(6,7,9,10-tetrahydro-1,2,3,10-tetramethoxy-9-oxo-5H-10,12a-epoxybenzo(a)heptalen-7-yl)-. AJMALINE, M(NOR-), AC. Oxycodone. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-.

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