(-)-Nicotine tartrate
Basic information
- CAS
65-31-6- Standard SMILES
CN1CCCC1c1cccnc1.O=C(O)C(O)C(O)C(=O)O- InChIKey
QLDPCHZQQIASHX-UHFFFAOYSA-N- Molecular formula
- C14H20N2O6
- Average molar mass
- 312.32 g/mol
- Monoisotopic mass
- 312.13213636
Names & identifiers
- Preferred name
- (-)-Nicotine tartrate
- IUPAC
- 2,3-dihydroxybutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine
- English name
- Nicotine ditartrate
- Molecular formula
- C18H26N2O12
- Molecular weight
- 462.41
Names & synonyms
(-)-nicotine tartrateSCHEMBL185824(S)-3-(1-Methylpyrrolidin-2-yl)pyridine (2R,3R)-2,3-dihydroxysuccinateSCHEMBL29352739(2R,3R)-2,3-dihydroxybutanedioic acid; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridineHMS3369B206550-19-2AAA06531WLN: T6NJ C- BT5NTJ A1 &OVYQYQVONS00079077(-)-1-Methyl-2-(3-pyridyl)pyrrolidine (+)-bitartrate saltPyridine, (S)-, [R-(R,R)]-2,3-dihydroxybutanedioate (1:2)
Show more names
NICOTINE BITARTRATESalt NicotineNicotinbitartrateDihydrateNICOTINE HYDROGEN-L-TARTRATEnikotinbitartratNICOTINE TARTRATEtartratedenicotineNicotine Difartratenicotineacidtartrate(-)-Nicotine ditatrate
Pyridine, (S)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:2)
Database identifiers
- CAS
65-31-6- PubChem CID
- 498080
Properties
Computed structural properties
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 90 ° · 90°
- alpha
- 20 · D20 +26° (c = 10)
- storage temp.
- Desiccate at RT
- solubility
- 2 O: · H2O: 50 mg/mL
- form
- powder
- color
- white to off-white
- optical activity
- 20 to · [α]/D +20 to +26°, c = 1.0 in water
- 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)/t;2*1-,2-/m.11/s1
- InChIKey
- RFEJUZJILGIRHQ-UHFFFAOYSA-N
- SMILES
- N1(C(CCC1)c2cnccc2)C.O[C@H]([C@@H](O)C(=O)O)C(=O)O.O[C@H]([C@@H](O)C(=O)O)C(=O)O
- CAS DataBase Reference
- 65 · 65-31-6(CAS DataBase Reference)
- FDA UNII
- 7892 ZN5G41 · 7892ZN5G41
- EPA Substance Registry System
- 3 · Pyridine, 3-[(2S)-1-methyl-2-pyrrolidinyl]-, (2R,3R)-2,3-dihydroxybutanedioate (1:2) (65-31-6)
- UNSPSC Code
- 12352210 · 12352210
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300+H310+H330-H411
- Precautionary statements
- 260 · P260-P262-P273-P280-P302+P352+P310-P304+P340+P310
- Hazard Codes
- T+,N
- Risk Statements
- 26 · 26/27/28-51/53
- Safety Statements
- 13 · 13-28-45-61
- RIDADR
- 1659 · UN 1659
- WGK Germany
- 2 · 2
- RTECS
- 350000 · QT0350000
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 2 InhalationAcute · Acute Tox. 2 InhalationAcute Tox. 3 OralAquatic Chronic 2Eye Irrit. 2Repr. 2
- Hazardous Substances Data
- 65 · 65-31-6(Hazardous Substances Data)
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 2
- rtecs
- QT0350000
- ridadr
- UN 1659
- risk_code
- 26/27/28-51/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+,N
- safety_code
- 13-28-45-61
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- Hazard statements
- H300+H310+H330-H411
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 3 OralAquatic Chronic 2Eye Irrit. 2Repr. 2
- Precautionary statements
- P260-P262-P273-P280-P302+P352+P310-P304+P340+P310
- Hazardous Substances Data
- 65-31-6(Hazardous Substances Data)
Chemistry & industry
Applications
Usesnicotinyl acetylchloline receptor agonist, ectoparasiticide
Usescathartic, laxative
General DescriptionPotent agonist of the nicotinic acetylcholine receptor. Stimulates autonomic ganglia and skeletal muscle neuromuscular junctions.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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