Pentolinium tartrateProduct ingredient for Pentolinium
- Name
- Pentolinium tartrate
- Drug Entry
- Pentolinium
Pentolinium is a nicotinic antagonist that has been used as a ganglionic blocking agent in hypertension.
- Accession Number
- DBSALT000236
- Structure
Structure for Pentolinium tartrate (DBSALT000236)
- Synonyms
- Not Available
- UNII
- 953357GACY
- CAS Number
- 52-62-0
- Weight
- Average: 538.5858
Monoisotopic: 538.273774818 - Chemical Formula
- C23H42N2O12
- InChI Key
- HSMKTIKKPMTUQH-WBPXWQEISA-L
- InChI
- InChI=1S/C15H32N2.2C4H6O6/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17;2*5-1(3(7)8)2(6)4(9)10/h3-15H2,1-2H3;2*1-2,5-6H,(H,7,8)(H,9,10)/q+2;;/p-2/t;2*1-,2-/m.11/s1
- IUPAC Name
- (2R,3R)-2,3-dihydroxybutanedioic acid 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium (2R,3R)-2,3-dihydroxybutanedioate
- SMILES
- [H][C@](O)(C(O)=O)[C@@]([H])(O)C(O)=O.[H][C@](O)(C([O-])=O)[C@@]([H])(O)C([O-])=O.C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1
- External Links
- PubChem Compound
- 5849
- ChemSpider
- 5640
- ChEBI
- 55326
- ChEMBL
- CHEMBL1318287
- Predicted Properties
Property Value Source Water Solubility 0.0257 mg/mL ALOGPS logP -1.7 ALOGPS logP -6.3 Chemaxon logS -4.2 ALOGPS Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 0 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 99.03 m3·mol-1 Chemaxon Polarizability 31.32 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon