Nicotine bitartrate dihydrateProduct ingredient for Nicotine
- Name
- Nicotine bitartrate dihydrate
- 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
- DBSALT002417
- Structure
Structure for Nicotine bitartrate dihydrate (DBSALT002417)
- Synonyms
- Nicotine acid tartrate dihydrate / Nicotine bitartrate / Nicotine ditartrate dihydrate
- UNII
- R7M676M8YV
- CAS Number
- 6019-06-3
- Weight
- Average: 498.438
Monoisotopic: 498.169703654 - Chemical Formula
- C18H30N2O14
- InChI Key
- LDMPZNTVIGIREC-ZGPNLCEMSA-N
- InChI
- InChI=1S/C10H14N2.2C4H6O6.2H2O/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);2*1H2/t10-;2*1-,2-;;/m011../s1
- IUPAC Name
- bis((2R,3R)-2,3-dihydroxybutanedioic acid) 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine dihydrate
- SMILES
- O.O.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
- 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 No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon