Basic information
- CAS
152148-64-6- Standard SMILES
COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccoc2c1.CS(=O)(=O)O- InChIKey
RKQPEIGWZATOHW-FYZYNONXSA-N- Molecular formula
- C24H31NO5S
- Average molar mass
- 445.6 g/mol
- Monoisotopic mass
- 445.19229426
Names & identifiers
- Preferred name
- A 80426 Mesylate
- IUPAC
- 2-(1-benzofuran-6-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine;methanesulfonic acid
- English name
- N-Methyl-N-[[(1R)-1,2,3,4-tetrahydro-5-methoxy-1-naphthalenyl]methyl]-6-benzofuranethanamine mesylate
- Molecular formula
- C24H31NO5S
- Molecular weight
- 445.57
Names & synonyms
A 80426 MESYLATE152148-64-6a-80426 mesylate152148-63-52-(1-benzofuran-6-yl)-N-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-N-methylethanamine;methanesulfonic acid6-Benzofuranethanamine, N-methyl-N-[(1,2,3,4-tetrahydro-5-methoxy-1-naphthalenyl)methyl]-, (R)-, methanesulfonateA 80426A80426MesylateA 80426 (mesylate)N-Methyl-N-[[(1R)-1,2,3,4-tetrahydro-5-methoxy-1-naphthalenyl]methyl]-6-benzofuranethanamine mesylateSCHEMBL9325372GLXC-02005
Show more names
EX-A14500AKOS024457060HY-103201(R)-2-(Benzofuran-6-yl)-N-((5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl)-N-methylethanamine methanesulfonate(R)-2-(Benzofuran-6-yl)-N-((5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl)-N-methylethanaminemethanesulfonate
Database identifiers
- CAS
152148-64-6- PubChem CID
- 10366248
Properties
Computed structural properties
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 534
Physicochemical properties
- solubility
- 10 mM · Soluble to 10 mM in water and to 100 mM in DMSO
- form
- Powder
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
DescriptionHigh affinityα2-adrenoceptor antagonist and selective 5-HT uptake inhibitor (Kivalues are 01 and 3.77 nM respectively). Displays low affinity at a variety of structurally homologous GPCRs.
UsesA 80426 mesylate is an α2-adrenoceptor antagonist. A 80426 mesylate is used in antidepressant research[1].
Suppliers4 total
Aladdin Scientific[email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
BOC Sciences[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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