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Home > Pyridines > 192231-16-6
192231-16-6 | Pyridine, 3-ethynyl-5-[(2S)-1-methyl-2-pyrrolidinyl]-, (2Z)-2-butenedioate (1:1)
CAS No: 192231-16-6 Catalog No: AG002FRP MDL No:
Product Description
Catalog Number:
AG002FRP
Chemical Name:
Pyridine, 3-ethynyl-5-[(2S)-1-methyl-2-pyrrolidinyl]-, (2Z)-2-butenedioate (1:1)
CAS Number:
192231-16-6
Molecular Formula:
C16H18N2O4
Molecular Weight:
302.3251
IUPAC Name:
(Z)-but-2-enedioic acid;3-ethynyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
InChI:
InChI=1S/C12H14N2.C4H4O4/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2;5-3(6)1-2-4(7)8/h1,7-9,12H,4-6H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t12-;/m0./s1
InChI Key:
BCPPKHPWLRPWBJ-OURKGEEVSA-N
SMILES:
OC(=O)/C=C\C(=O)O.C#Cc1cncc(c1)[C@@H]1CCCN1C
UNII:
PCL7Q9Q62Q
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
302.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.33g/mol
Monoisotopic Mass:
302.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Enantioselective, palladium-catalyzed α-arylation of N-Boc pyrrolidine: in situ react IR spectroscopic monitoring, scope, and synthetic applications. | The Journal of organic chemistry 20110805 |
| Pharmacological characterization of (S)-(2)-5-ethynyl-3-(1-methyl-2-pyrrolidinyl)pyridine HCl (SIB-1508Y, Altinicline), a novel nicotinic acetylcholine receptor agonist. | Brain research 20081009 |
| Expedient five-step synthesis of SIB-1508Y from natural nicotine. | The Journal of organic chemistry 20061027 |
| Randomized placebo-controlled study of the nicotinic agonist SIB-1508Y in Parkinson disease. | Neurology 20060214 |
| Reversal of a vigilance decrement in the aged rat by subtype-selective nicotinic ligands. | Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology 20030501 |
| Evidence that nicotinic alpha(7) receptors are not involved in the hyperlocomotor and rewarding effects of nicotine. | The Journal of pharmacology and experimental therapeutics 20000901 |
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