Trigonellamide ChlorideProduct ingredient for Trigonellamide
- Name
- Trigonellamide Chloride
- Drug Entry
- Trigonellamide
Trigonellamide is under investigation in clinical trial NCT01930240 (The Safety of a Hypolipidemic Agent in Healthy Normal Volunteers).
- Accession Number
- DBSALT002055
- Structure
Structure for Trigonellamide Chloride (DBSALT002055)
- Synonyms
- Not Available
- UNII
- L54XNJ1D5G
- CAS Number
- 1005-24-9
- Weight
- Average: 172.61
Monoisotopic: 172.0403406 - Chemical Formula
- C7H9ClN2O
- InChI Key
- BWVDQVQUNNBTLK-UHFFFAOYSA-N
- InChI
- InChI=1S/C7H8N2O.ClH/c1-9-4-2-3-6(5-9)7(8)10;/h2-5H,1H3,(H-,8,10);1H
- IUPAC Name
- 3-carbamoyl-1-methylpyridin-1-ium chloride
- SMILES
- [Cl-].C[N+]1=CC=CC(=C1)C(N)=O
- External Links
- ChemSpider
- 63668
- ChEMBL
- CHEMBL1209652
- Predicted Properties
Property Value Source Water Solubility 0.875 mg/mL ALOGPS logP -3.6 ALOGPS logP -4.3 Chemaxon logS -2.3 ALOGPS pKa (Strongest Acidic) 12.24 Chemaxon pKa (Strongest Basic) -1.5 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 46.97 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 39.13 m3·mol-1 Chemaxon Polarizability 14.25 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon