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155156-22-2 | Butanoic acid, 2-(4-chlorophenoxy)-, endo-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (2R)-, (2Z)-2-butenedioate (1:1) (9CI)
CAS No: 155156-22-2 Catalog No: AG001NNC MDL No:
Product Description
Catalog Number:
AG001NNC
Chemical Name:
Butanoic acid, 2-(4-chlorophenoxy)-, endo-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (2R)-, (2Z)-2-butenedioate (1:1) (9CI)
CAS Number:
155156-22-2
IUPAC Name:
(E)-but-2-enedioic acid;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2R)-2-(4-chlorophenoxy)butanoate
InChI:
InChI=1S/C18H24ClNO3.C4H4O4/c1-3-17(22-15-8-4-12(19)5-9-15)18(21)23-16-10-13-6-7-14(11-16)20(13)2;5-3(6)1-2-4(7)8/h4-5,8-9,13-14,16-17H,3,6-7,10-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t13?,14?,16?,17-;/m1./s1
InChI Key:
BHXGTFUQDGMXHA-HPXVQWRESA-N
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
453.155g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
453.916g/mol
Monoisotopic Mass:
453.155g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Afobazole modulates microglial function via activation of both sigma-1 and sigma-2 receptors. | The Journal of pharmacology and experimental therapeutics 20111001 |
| Sigma1 receptor antagonists determine the behavioral pattern of the methamphetamine-induced stereotypy in mice. | Psychopharmacology 20090501 |
| Antidepressant-like effect of PRE-084, a selective sigma1 receptor agonist, in Albino Swiss and C57BL/6J mice. | Pharmacological reports : PR 20090101 |
| sigma(2)-receptor ligand-mediated inhibition of inwardly rectifying K(+) channels in the heart. | The Journal of pharmacology and experimental therapeutics 20070701 |
| Involvement of the sigma1 receptor in inhibiting activity of fluvoxamine on marble-burying behavior: comparison with paroxetine. | European journal of pharmacology 20070601 |
| Effects of UMB24 and (+/-)-SM 21, putative sigma2-preferring antagonists, on behavioral toxic and stimulant effects of cocaine in mice. | Pharmacology, biochemistry, and behavior 20070101 |
| (+/-)-SM 21 attenuates the convulsive and locomotor stimulatory effects of cocaine in mice. | European journal of pharmacology 20010406 |
| The analgesic tropane analogue (+/-)-SM 21 has a high affinity for sigma2 receptors. | Life sciences 19990101 |
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