Chemical Properties of Atropine sulfate, hydrate

InChI

InChI=1S/2C17H23NO3.H2O4S.H2O/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4;/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4);1H2

InChI Key

JPKKQJKQTPNWTR-UHFFFAOYSA-N

Formula

C34H50N2O11S

SMILES

C[NH+]1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.C[NH+]1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O.O=S(=O)([O-])[O-]

Molecular Weight¹

694.84

• log₁₀WS : Log10 of Water solubility in mol/l.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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 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.

Similar Compounds

Find more compounds similar to Atropine sulfate, hydrate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• NIST Webbook

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