Linsidomine hydrochlorideProduct ingredient for Linsidomine
- Name
- Linsidomine hydrochloride
- Drug Entry
- Linsidomine
- Accession Number
- DBSALT002925
- Structure
Structure for Linsidomine hydrochloride (DBSALT002925)
- Synonyms
- Linsidomine HCl
- External IDs
- EC 605-254-1
- UNII
- Y0054U597M
- CAS Number
- 16142-27-1
- Weight
- Average: 206.63
Monoisotopic: 206.0570533 - Chemical Formula
- C6H11ClN4O2
- InChI Key
- ZRFWHHCXSSACAW-UHFFFAOYSA-M
- InChI
- InChI=1S/C6H11N4O2.ClH/c7-6-5-10(8-12-6)9-1-3-11-4-2-9;/h5H,1-4,7H2;1H/q+1;/p-1
- IUPAC Name
- 5-amino-3-(morpholin-4-yl)-1,2,3lambda5-oxadiazol-3-ylium chloride
- SMILES
- [Cl-].NC1=C[N+](=NO1)N1CCOCC1
- External Links
- ChemSpider
- 171323
- ChEMBL
- CHEMBL2361429
- Predicted Properties
Property Value Source Water Solubility 30.2 mg/mL ALOGPS logP -1.6 ALOGPS logP -2.1 Chemaxon logS -0.84 ALOGPS pKa (Strongest Acidic) 10.06 Chemaxon pKa (Strongest Basic) -2.9 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 68.4 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 63.04 m3·mol-1 Chemaxon Polarizability 16.68 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon