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124756-23-6 | 8-Azaspiro[4.5]decane-7,9-dione, 8-[2-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]ethyl]-, methanesulfonate (1:1)
CAS No: 124756-23-6 Catalog No: AG000MPM MDL No:
Product Description
Catalog Number:
AG000MPM
Chemical Name:
8-Azaspiro[4.5]decane-7,9-dione, 8-[2-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]ethyl]-, methanesulfonate (1:1)
CAS Number:
124756-23-6
Molecular Formula:
C21H30N2O7S
Molecular Weight:
454.5371
IUPAC Name:
8-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione;methanesulfonic acid
InChI:
InChI=1S/C20H26N2O4.CH4O3S/c23-18-11-20(7-3-4-8-20)12-19(24)22(18)10-9-21-13-15-14-25-16-5-1-2-6-17(16)26-15;1-5(2,3)4/h1-2,5-6,15,21H,3-4,7-14H2;1H3,(H,2,3,4)
InChI Key:
JXBLEDCYKVWLJI-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2c(O1)cccc2
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.177g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
454.538g/mol
Monoisotopic Mass:
454.177g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Cloned human 5-HT1A receptor pharmacology determined using agonist binding and measurement of cAMP accumulation. | The Journal of pharmacy and pharmacology 20041001 |
| Serotonergic serotonin (1A) mixed agonists/antagonists elicit large-magnitude phase shifts in hamster circadian wheel-running rhythms. | Neuroscience 20030101 |
| Effects of MDL 73005 on water-maze performances and locomotor activity in scopolamine-treated rats. | Pharmacology, biochemistry, and behavior 20010401 |
| Antagonistic effects of selective alpha1-adrenoceptor antagonists MDL73005EF and tamsulosin and partial agonists clonidine and tizanidine in rat thoracic aorta and rabbit iliac artery. | The Journal of pharmacy and pharmacology 20010101 |
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