Setiptiline Maleate
Basic information
- CAS
85650-57-3- Standard SMILES
CN1CCC2=C(C1)c1ccccc1Cc1ccccc12.O=C(O)/C=C\C(=O)O- InChIKey
AVPIBVPBCWBXIU-BTJKTKAUSA-N- Molecular formula
- C23H23NO4
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.16270821
Overview
Setiptiline maleate is a maleate salt obtained by reaction of setiptiline with one equivalent of maleic acid. It has a role as an alpha-adrenergic antagonist and a serotonergic antagonist. It is a maleate salt and a tetracyclic antidepressant. It contains a setiptiline(1+).
Names & identifiers
- Preferred name
- Setiptiline Maleate
- IUPAC
- (Z)-but-2-enedioic acid;4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaene
- English name
- 2,3,4,9-tetrahydro-2-methyl-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridyl maleate
- Molecular formula
- C23H23NO4
- Molecular weight
- 377.44
Names & synonyms
setiptiline maleate85650-57-3Tecipul9VOZ30EO2YTecipul (TN)BISOPOOLEINECS 288-065-3Setiptiline maleate (JAN)Setiptiline maleate [JAN]SETIPTILINE MALEATE [MI]CHEBI:176786SETIPTILINE MALEATE [WHO-DD]
Show more names
MOD-20MO-8282SutitiptilineMO-8282etiptiline maleateSetiptiline maleate, BRSetiptiline maleate (MO-8282)
2,3,4,9-Tetrahydro-2-methyl-1H-dibenzo(3,4:6,7)cyclohepta(1,2-c)pyridyl maleate2,3,4,9-tetrahydro-2-methyl-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridyl maleate2,3,4,9-Tetrahydro-2-methyl-1H-dibenzo(3,4:6,7)cyclohepta(1,2-c)pyridine maleate1H-Dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine, 2,3,4,9-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1)2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine (2Z)-but-2-enedioate1H-Dibenzo(3,4:6,7)cyclohepta(1,2-c)pyridine, 2,3,4,9-tetrahydro-2-methyl-, (2Z)-2-butenedioate (1:1)2-methyl-2,3,4,9-tetrahydro-1H-dibenzo(3,4:6,7)cyclohepta(1,2-c)pyridine (2Z)-but-2-enedioateRefChem:884961
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Powder
- color
- White to gray
- FDA UNII
- 9 VOZ30EO2Y · 9VOZ30EO2Y
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 334 · H334-H317-H332-H302-H312
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P261-P285-P304+P341-P342+P311-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 17 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H334-H317-H332-H302-H312
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P261-P285-P304+P341-P342+P311-P501
Chemistry & industry
Applications
UsesSetiptiline maleate (MO-8282 maleate) is a serotonin receptor antagonist. Setiptiline maleate is a tetracyclic antidepressant (TeCA) which acts as a noradrenergic and specific serotonergic antidepressant (NaSSA). Setiptiline maleate acts as a norepinephrine reuptake inhibitor, α2-adrenergic receptor antagonist, and serotonin receptor antagonist, likely at the 5-HT2A, 5-HT2C, and/or 5-HT3 subtypes, as well as an H1 receptor inverse agonist/antihistamine[1][2][3][4].
Additional notes
DefinitionChEBI: Setiptiline maleate is a maleate salt obtained by reaction of setiptiline with one equivalent of maleic acid. It has a role as an alpha-adrenergic antagonist and a serotonergic antagonist. It is a maleate salt and a tetracyclic antidepressant. It contains a setiptiline(1+).
Related reactions
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Compound notes
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