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Deramciclane

Deramciclane structure

CAS No:
120444-71-5
Formula:
C20H31NO
Chemical Name:
Deramciclane
Synonyms:
Ethanamine,N,N-dimethyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl]oxy]-;Ethanamine,N,N-dimethyl-2-[(1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl)oxy]-,(1R-exo)-;N,N-Dimethyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl]oxy]ethanamine;Deramciclane
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

Description

Deramciclane has a high affinity for 5-HT2A and 5-HT2C receptors; it acts as an antagonist at both receptor subtypes and has inverse agonist properties at the 5-HT2C receptors without direct stimulatory agonist.

Deramciclane (EGIS-3886) is used for the treatment of a number of anxiety disorders. Deramciclane differs from other anti anxiety medications in that it is not a benzodiazepine and so has a different structure and target. It antagonizes 5-HT2A receptors, agonizes 5-HT2C receptors, and functions as a GABA reuptake inhibitor.

Deramciclane Basic Attributes

Molecular Weight：

301.471

Exact Mass：

301.47

UNII：

O5KFK61E74

DSSTox ID：

DTXSID10152862

Characteristics

PSA：

12.5

XLogP3：

4.30630

Density：

1.01±0.1 g/cm3(Predicted)

Boiling Point：

375.2±25.0 °C(Predicted)

Flash Point：

110.6ºC

Refractive Index：

1.541

Vapor Pressure：

7.93E-06mmHg at 25°C

Drug Information

Drug Indication：

Investigated for use/treatment in anxiety disorders.

MeSH：

Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS. (See all compounds classified as Serotonin Antagonists.)|Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here. (See all compounds classified as Anti-Anxiety Agents.)|Drugs used to prevent SEIZURES or reduce their severity. (See all compounds classified as Anticonvulsants.)

Metabolism/Metabolites：

Deramciclane has known human metabolites that include N-Methyl-2-[(1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine.

Mechanism of Action：

Deramciclane is a new putative non-benzodiazepine-type anxiolytic compound. It is a selective serotonin 5-HT(2A) and 5-HT(2C) receptor antagonist and has also inverse agonist properties.

MeSH Entry Terms：

2-phenyl-2-(dimethylaminoethoxy)-1,7,7-trimethylbicyclo(2.2.1)heptane hemifumarate

Computed Properties

Molecular Weight:301.5
XLogP3:4.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:301.240564612
Monoisotopic Mass:301.240564612
Topological Polar Surface Area:12.5
Heavy Atom Count:22
Complexity:399
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Deramciclane

CAS No.: 120444-71-5

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