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Benzoctamine

CAT: 0013-GTR19188111-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188111-03Size:100 mg
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Description
Benzoctamine is an orally active tranquilizer that potentiates catecholamine turnover. It accelerates noradrenaline uptake and clearance, as demonstrated in rat heart and intracisternal injection studies, supporting its research use in neuropharmacology and psychotropic agent mechanisms.
CAS Number
17243-39-9
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (NC) C12C=3C (C (C=4C1=CC=CC4) CC2) =CC=CC3
Molecular Formula
C18H19N
Molecular Weight
249.35
Storage Conditions
-20°C
Notes
For research use only.

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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