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Deramciclane

CAT: 0607-BA5028-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA5028-5Size:5 mg
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CAS Number
120444-71-5
Form
An oil
Molecular Formula
C20H31NO
Molecular Weight
301.47
Shipping Conditions
Blue ice
Storage Conditions
4°C, desiccated and protect from light.

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

Alternative Products

CatalogName
VEA44471-01Deramciclane
T27149-01Deramciclane fumarate
A13011-1Deramciclane 1mg
A13011-100Deramciclane 100mg
A13011-10Deramciclane 10mg
A13011-5Deramciclane 5mg
HY-101630ADeramciclane (fumarate)
A13011-25Deramciclane 25mg
HY-101630RDeramciclane (Standard)
A13011-50Deramciclane 50mg

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