Nicotine bitartrateProduct ingredient for Nicotine
- Name
- Nicotine bitartrate
- Drug Entry
- Nicotine
Nicotine is highly toxic alkaloid. It is the prototypical agonist at nicotinic cholinergic receptors where it dramatically stimulates neurons and ultimately blocks synaptic transmission. Nicotine is also important medically because of its presence in tobacco smoke.
- Accession Number
- DBSALT002418
- Structure
Structure for Nicotine bitartrate (DBSALT002418)
- Synonyms
- Nicotine bitartrate anhydrous / Nicotine hydrogen tartrate / Nicotine hydrogen-L-tartrate / Nicotine tartrate
- UNII
- 7892ZN5G41
- CAS Number
- 65-31-6
- Weight
- Average: 462.408
Monoisotopic: 462.148574285 - Chemical Formula
- C18H26N2O12
- InChI Key
- RFEJUZJILGIRHQ-OMDKHLBYSA-N
- InChI
- InChI=1S/C10H14N2.2C4H6O6/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*5-1(3(7)8)2(6)4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;2*1-2,5-6H,(H,7,8)(H,9,10)/t10-;2*1-,2-/m011/s1
- IUPAC Name
- bis((2R,3R)-2,3-dihydroxybutanedioic acid); 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
- SMILES
- O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCC[C@H]1C1=CC=CN=C1
- External Links
- ChemSpider
- 10131876
- Predicted Properties
Property Value Source Water Solubility 161.0 mg/mL ALOGPS logP -1.3 ALOGPS logP 1.16 Chemaxon logS 0.03 ALOGPS pKa (Strongest Basic) 8.58 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 16.13 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 49.66 m3·mol-1 Chemaxon Polarizability 18.64 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon