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Deramciclane (Standard)

CAT: 0804-HY-101630RSize: 1 EachDry Ice: NoHazardous: No
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Description
Deramciclane (Standard) is the analytical standard of Deramciclane. This product is intended for research and analytical applications. 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.
CAS Number
120444-71-5
Product Name Alternative
EGIS-3886 (Standard)
UNSPSC
12352005
Target
5-HT Receptor; Reference Standards
Related Pathways
GPCR/G Protein; Neuronal Signaling; Others
Field of Research
Neurological Disease
Smiles
CC1(C)[C@]2(C)[C@@](OCCN(C)C)(C3=CC=CC=C3)C[C@@]1([H])CC2
Molecular Formula
C20H31NO
Molecular Weight
301.47
References & Citations
[1]P?lvim?ki EP, et al. Deramciclane, a putative anxiolytic drug, is a serotonin 5-HT2C receptor inverse agonist but fails to induce 5-HT2C receptor down-regulation. Psychopharmacology (Berl) . 1998 Mar;136 (2) :99-104.|[2]K??ri?inen TM, et al. Comparison of the effects of deramciclane, ritanserin and buspirone on extracellular dopamine and its metabolites in striatum and nucleus accumbens of freely moving rats. Basic Clin Pharmacol Toxicol. 2008 Jan;102 (1) :50-8.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards
Isoform
5-HT2 Receptor

Chemical Information

Deramciclane

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.

CAS Number120444-71-5
PubChem CID119590
IUPAC NameN,N-dimethyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine
Molecular FormulaC20H31NO
Molecular Weight301.5
XLogP4.4
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity399
SMILES
C[C@@]12CC[C@@H](C1(C)C)C[C@@]2(C3=CC=CC=C3)OCCN(C)C
InChI
InChI=1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20+/m1/s1
InChIKey
QOBGWWQAMAPULA-RLLQIKCJSA-N
Chemical Structure
2D Structure
2D structure of Deramciclane
CAS: 120444-71-5
CID: 119590
Formula: C20H31NO
MW: 301.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.5
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass301.240564612
Monoisotopic Mass301.240564612
Topological Polar Surface Area12.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity399
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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