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CHEBI:140115 - nicotine bitartrate

ChEBI IDCHEBI:140115
ChEBI Namenicotine bitartrate
Stars
Last Modified17 February 2022
Submittermwilliams
DownloadsMolfile
FormulaC10H14N2.2C4H6O6.2H2O
Net Charge0
Average Mass498.438
Monoisotopic Mass498.16970
SMILESCN1CCC[C@H]1c1cccnc1.O.O.O=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=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
InChIKeyLDMPZNTVIGIREC-ZGPNLCEMSA-N
ChEBI Ontology
Outgoing Relation(s)
nicotine bitartrate (CHEBI:140115) is a pyridines (CHEBI:26421)
nicotine bitartrate (CHEBI:140115) is a pyrrolidines (CHEBI:38260)
Manual XrefsDatabases
D05156KEGG DRUG
DBSALT002417DrugBank
Registry NumbersSources
CAS:6019-06-3ChemIDplus