Pipemidic acid trihydrateProduct ingredient for Pipemidic acid
- Name
- Pipemidic acid trihydrate
- Drug Entry
- Pipemidic acid
- Accession Number
- DBSALT002996
- Structure
Structure for Pipemidic acid trihydrate (DBSALT002996)
- Synonyms
- Pipemidic acid hydrate / Pipemidic acid trihydrate
- UNII
- N734WBH1TJ
- CAS Number
- 72571-82-5
- Weight
- Average: 357.367
Monoisotopic: 357.164833481 - Chemical Formula
- C14H23N5O6
- InChI Key
- URMXYPLWYMOYPG-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H17N5O3.3H2O/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19;;;/h7-8,15H,2-6H2,1H3,(H,21,22);3*1H2
- IUPAC Name
- 8-ethyl-5-oxo-2-(piperazin-1-yl)-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid trihydrate
- SMILES
- O.O.O.CCN1C=C(C(O)=O)C(=O)C2=CN=C(N=C12)N1CCNCC1
- External Links
- Predicted Properties
Property Value Source Water Solubility 0.746 mg/mL ALOGPS logP -1.5 ALOGPS logP -1.8 Chemaxon logS -2.6 ALOGPS pKa (Strongest Acidic) 5.11 Chemaxon pKa (Strongest Basic) 8.66 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 98.66 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 82.18 m3·mol-1 Chemaxon Polarizability 30.94 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon