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Setiptiline maleate

CAT: 0127-BUP21413Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP21413Size:10 mg
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CAS Number
85650-57-3
Synonyms
MO8282 | MO-8282 | MOD-20 | MOD20 | ORG-8282 | ORG8282
MDL Number
MFCD00887604
Purity
=98%
Smiles
C(=CC(O)=O)C(O)=O.CN1CC2=C(C=3C(CC=4C2=CC=CC4)=CC=CC3)CC1

Chemical Information

Setiptiline Maleate

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+).

CAS Number85650-57-3
PubChem CID5282470
IUPAC Name(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
Molecular FormulaC23H23NO4
Molecular Weight377.4
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity516
SMILES
CN1CCC2=C(C1)C3=CC=CC=C3CC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C19H19N.C4H4O4/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20;5-3(6)1-2-4(7)8/h2-9H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
AVPIBVPBCWBXIU-BTJKTKAUSA-N
Chemical Structure
2D Structure
2D structure of Setiptiline Maleate
CAS: 85650-57-3
CID: 5282470
Formula: C23H23NO4
MW: 377.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass377.16270821
Monoisotopic Mass377.16270821
Topological Polar Surface Area77.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
A3816-5Setiptiline maleate
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