Table 1 Molecular structure and physicochemical specifications of NHM.

From: A machine learning approach for thermodynamic modeling of the statically measured solubility of nilotinib hydrochloride monohydrate (anti-cancer drug) in supercritical CO2

Compound

Formula

Structure

Mw (g/mol)

Tm (K)

λmax (nm)

CAS number

Minimum purity

Producer

Nilotinib hydrochloride monohydrate

C28H25ClF3N7O2

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584

480.15 ± 7

270

923288-90-8

99%(HPLC)

Parsian Pharmapeutical Co (Tehran, Iran)

Carbon Dioxide

CO2

44.01

–

–

124-38-9

99.99%(GC)

Fadak Co (Kashan, Iran)

Dimethyl sulfoxide

C2H6OS

78.13

–

–

67-68-5

99%(GC)

Merck Group (Darmstadt, Germany)

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