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Benzoctamine

CAT: 0931-T60368-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T60368-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17243-39-9
Target
5-HT Receptor, Others
Related Pathways
GPCR/G Protein, Neuroscience, Others
Bioactivity
Benzoctamine is an orally active and potent psychoactive agent with tranquillizing properties that increases the turnover rate of catecholamines, enhances the uptake of [3H]noradrenaline in the rat heart, and accelerates the disappearance of intracisternally injected [3H]noradrenaline [1].
Smiles
C(NC)C12C=3C(C(C=4C1=CC=CC4)CC2)=CC=CC3
Molecular Formula
C18H19N
Molecular Weight
249.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benzoctamine

Benzoctamine is a member of anthracenes.

CAS Number17243-39-9
PubChem CID28425
IUPAC NameN-methyl-1-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methanamine
Molecular FormulaC18H19N
Molecular Weight249.3
XLogP3.7
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity313
SMILES
CNCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24
InChI
InChI=1S/C18H19N/c1-19-12-18-11-10-13(14-6-2-4-8-16(14)18)15-7-3-5-9-17(15)18/h2-9,13,19H,10-12H2,1H3
InChIKey
GNRXCIONJWKSEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzoctamine
CAS: 17243-39-9
CID: 28425
Formula: C18H19N
MW: 249.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.3
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass249.151749610
Monoisotopic Mass249.151749610
Topological Polar Surface Area12 Ų
Heavy Atom Count19
Formal Charge0
Complexity313
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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MBS5803096Benzoctamine
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263762-01Benzoctamine HCI

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