SB 224289 hydrochloride

Chemical Information
SB 224289 hydrochloride is a hydrochloride that is the monohydrochloride salt of SB 224289. Selective 5-HT1B receptor antagonist (pKi = 8.2). Displays >60-fold selectivity over 5-HT1D, 5-HT1A, 5-HT1E, 5-HT1F, 5-HT2A and 5-HT2C receptors in radioligand binding and functional assays. Centrally active following oral administration in vivo. It has a role as a serotonergic antagonist and a prodrug. It contains a SB 224289(1+).
| CAS Number | 180084-26-8 |
| PubChem CID | 11226716 |
| IUPAC Name | [4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride |
| Molecular Formula | C32H33ClN4O3 |
| Molecular Weight | 557.1 |
| Topological Polar Surface Area | 71.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 885 |
| Property | Value |
|---|---|
| Molecular Weight | 557.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 556.2241186 |
| Monoisotopic Mass | 556.2241186 |
| Topological Polar Surface Area | 71.7 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 885 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
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