- InChI
- InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
- InChI Key
- XUFQPHANEAPEMJ-UHFFFAOYSA-N
- Formula
- C8H15N7O2S3
- SMILES
-
Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)
NC(=O)NC3CCCCC3)cc2)cn1 - Molecular Weight1
- 445.54
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 51.19 | kJ/mol | Pressurization effects on the polymorphic forms of famotidine |
| log10WS | -2.65 | Aq. Solubility Prediction | |
| logPoct/wat | 2.078 | Crippen Calculated Property | |
| McVol | 329.500 | ml/mol | McGowan Calculated Property |
| Tfus | [439.35; 481.65] | K |
|
| Tfus | 439.35 | K | Determination and prediction of solubilities of active pharmaceutical ingredients in selected organic solvents |
| Tfus | 481.65 | K | Aq. Solubility Prediction |
Cheméo can also estimate Normal Boiling Point Temperature, 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 famotidine.
Mixtures
Sources
- 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.
- Crippen Method
- Determination and correlation of solubilities of famotidine in water + co-solvent mixed solvents
- Determination and prediction of solubilities of active pharmaceutical ingredients in selected organic solvents
- Pressurization effects on the polymorphic forms of famotidine
- Aqueous Solubility Prediction Method
- McGowan Method
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