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Amitriptylinoxide

CAT: 0013-GTR19199498-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199498-03Size:100 mg
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Description
Amitriptylinoxide is a tricyclic antidepressant compound used in biochemical research. It serves as a key reference standard and pharmacological tool for in vitro studies investigating neurotransmitter reuptake mechanisms and for in vivo models of depressive disorders.
CAS Number
4317-14-0
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (CCN (C) (C) =O) =C1C=2C (CCC=3C1=CC=CC3) =CC=CC2
Molecular Formula
C20H23NO
Molecular Weight
293.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Amitriptylinoxide

Amitriptylinoxide is an organic tricyclic compound.

CAS Number4317-14-0
PubChem CID20313
IUPAC NameN,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine oxide
Molecular FormulaC20H23NO
Molecular Weight293.4
XLogP4.5
Topological Polar Surface Area18.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity375
SMILES
C[N+](C)(CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31)[O-]
InChI
InChI=1S/C20H23NO/c1-21(2,22)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
InChIKey
ZPMKQFOGINQDAM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amitriptylinoxide
CAS: 4317-14-0
CID: 20313
Formula: C20H23NO
MW: 293.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.4
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass293.177964357
Monoisotopic Mass293.177964357
Topological Polar Surface Area18.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity375
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

Alternative Products

CatalogName
T25081-01Amitriptylinoxide
HY-W744788Amitriptylinoxide-d6

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