Methenamine mandelateProduct ingredient for Methenamine
- Name
- Methenamine mandelate
- Drug Entry
- Methenamine
Methenamine is a heterocyclic organic compound with a cage-like structure similar to adamantane. In salt form it is used for the treatment of urinary tract infection (Example: methenamine hippurate which is the hippuric acid salt of methenamine).
- Accession Number
- DBSALT001271
- Structure
Structure for Methenamine mandelate (DBSALT001271)
- Synonyms
- Not Available
- UNII
- 695N30CINR
- CAS Number
- 587-23-5
- Weight
- Average: 292.339
Monoisotopic: 292.15354052 - Chemical Formula
- C14H20N4O3
- InChI Key
- UXNFIJPHRQEWRQ-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H8O3.C6H12N4/c9-7(8(10)11)6-4-2-1-3-5-6;1-7-2-9-4-8(1)5-10(3-7)6-9/h1-5,7,9H,(H,10,11);1-6H2
- IUPAC Name
- 1,3,5,7-tetraazatricyclo[3.3.1.1³,⁷]decane; 2-hydroxy-2-phenylacetic acid
- SMILES
- C1N2CN3CN1CN(C2)C3.OC(C(O)=O)C1=CC=CC=C1
- External Links
- KEGG Drug
- D00856
- ChemSpider
- 10994
- ChEMBL
- CHEMBL3833312
- Predicted Properties
Property Value Source Water Solubility 16.8 mg/mL ALOGPS logP 0.66 ALOGPS logP 0.9 Chemaxon logS -0.96 ALOGPS pKa (Strongest Acidic) 3.75 Chemaxon pKa (Strongest Basic) -4.1 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 57.53 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 38.7 m3·mol-1 Chemaxon Polarizability 14.64 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon