Cotinine fumarate

Base Information

• Chemical Name: Cotinine fumarate
• CAS No.: 5695-98-7
• Molecular Formula: C15H17NO3S2
• Molecular Weight: 468.50232
• UNII: 6ZAF060BHS
• ChEMBL ID: CHEMBL3989573
• NCI Thesaurus Code: C80524
• Wikidata: Q27265771
• Mol file: 5695-98-7.mol

Synonyms:COTININE FUMARATE;Cotinine fumarate [USAN];5695-98-7;6ZAF060BHS;(-)-1-Methyl-5-(3-pyridyl)-2-pyrrolidinone fumarate (2:1);Cotinine fumarate (USAN);2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (S)-, (E)-2-butenedioate (2:1);UNII-6ZAF060BHS;SCHEMBL122012;COTININE FUMARATE [MI];CHEMBL3989573;D03596;Q27265771;N-METHYL-2-(3-PYRIDYL)-5-PYRROLIDONE FUMARATE;1-METHYL-5-(3-PYRIDINYL)-2-PYRROLIDINONE FUMARATE

Chemical Property of Cotinine fumarate

Chemical Property:

• Vapor Pressure: 0.000421mmHg at 25°C
• Boiling Point: 316°Cat760mmHg
• Flash Point: 166.7°C
• Density: 1.146g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 468.20088463
• Heavy Atom Count: 34
• Complexity: 324

Purity/Quality:

COTININE FUMARATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CN1C(CCC1=O)C2=CN=CC=C2.CN1C(CCC1=O)C2=CN=CC=C2.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CN1[C@@H](CCC1=O)C2=CN=CC=C2.CN1[C@@H](CCC1=O)C2=CN=CC=C2.C(=C/C(=O)O)\C(=O)O
• Recent ClinicalTrials: Role of Metabolites in Nicotine Dependence (1) - 1
• Uses: Antidepressant.

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