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Home Other Building Blocks 2-Pyrrolidinone, 1-[4-(1-pyrrolidinyl)-2-butyn-1-yl]-, (2E)-2-butenedioate (2:3)

2-Pyrrolidinone, 1-[4-(1-pyrrolidinyl)-2-butyn-1-yl]-, (2E)-2-butenedioate (2:3)

CAS No.:
17360-35-9
Catalog Number:
AG001Z36
Molecular Formula:
C36H48N4O14
Molecular Weight:
760.7847
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Product Description
Catalog Number:
AG001Z36
Chemical Name:
2-Pyrrolidinone, 1-[4-(1-pyrrolidinyl)-2-butyn-1-yl]-, (2E)-2-butenedioate (2:3)
CAS Number:
17360-35-9
Molecular Formula:
C36H48N4O14
Molecular Weight:
760.7847
MDL Number:
MFCD00013163
IUPAC Name:
(E)-but-2-enedioic acid;1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
InChI:
InChI=1S/2C12H18N2O.3C4H4O4/c2*15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13;3*5-3(6)1-2-4(7)8/h2*1-2,5-11H2;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+
InChI Key:
WLYYOFJEBGHKEC-VQYXCCSOSA-N
SMILES:
O=C1CCCN1CC#CCN1CCCC1.O=C1CCCN1CC#CCN1CCCC1.OC(=O)/C=C/C(=O)O.OC(=O)/C=C/C(=O)O.OC(=O)/C=C/C(=O)O
EC Number:
241-388-3
Properties
Complexity:
412  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3  
Exact Mass:
760.317g/mol
Formal Charge:
0
Heavy Atom Count:
54  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
760.794g/mol
Monoisotopic Mass:
760.317g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
271A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Muscarinic type 2 receptors in the lateral dorsal tegmental area modulate cocaine and food seeking behavior in rats. Neuroscience 20101013
Nucleus accumbens acetylcholine and food intake: decreased muscarinic tone reduces feeding but not food-seeking. Behavioural brain research 20090302
Acetylcholine activity in selective striatal regions supports behavioral flexibility. Neurobiology of learning and memory 20090101
Cholinergic effects on fear conditioning II: nicotinic and muscarinic modulations of atropine-induced disruption of the degraded contingency effect. Psychopharmacology 20050401
Receptor mechanisms mediating cyanide generation in PC12 cells and rat brain. Neuroscience research 20040501
Properties