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    Technical details about Deramciclane, learn more about the structure, uses, toxicity, action, side effects and more

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    Deramciclane

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: 120444-72-6, W1183ty0ee, Egis-3886, Exo-egyt 3886, Egyt-3886, Ethanamine,n,n-dimethyl-2-[[(1r,2s,4r)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl]oxy]-, (2e)-2-butenedioate (1:1)
    Molecular Formula
    C24H35NO5
    Molecular Weight
    417.5  g/mol
    InChI Key
    RFQWRWCCNQNACG-HJYQBBATSA-N
    FDA UNII
    W1183TY0EE
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E)-but-2-enedioic acid;N,N-dimethyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine
    2.1.2 InChI
    InChI=1S/C20H31NO.C4H4O4/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;5-3(6)1-2-4(7)8/h6-10,17H,11-15H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t17-,19-,20+;/m1./s1
    2.1.3 InChI Key
    RFQWRWCCNQNACG-HJYQBBATSA-N
    2.1.4 Canonical SMILES
    CC1(C2CCC1(C(C2)(C3=CC=CC=C3)OCCN(C)C)C)C.C(=CC(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    C[C@@]12CC[C@@H](C1(C)C)C[C@@]2(C3=CC=CC=C3)OCCN(C)C.C(=C/C(=O)O)\C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    W1183TY0EE
    2.3 Synonyms
    2.3.1 MeSH Synonyms

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

    2. Deramciclane

    3. Deramciclane, (1r,2s,4r)-isomer

    4. Deramciclane, (endo-egyt 3886)-isomer

    5. Egis 3886

    6. Egis-3886

    7. Egis3886

    8. Egyt 3886

    9. Egyt-3886

    10. N,n-dimethyl-2-((1,7,7-trimethyl-2-phenylbicyclo(2.2.1)hept-2-yl)oxy)ethamine

    2.3.2 Depositor-Supplied Synonyms

    1. 120444-72-6

    2. W1183ty0ee

    3. Egis-3886

    4. Exo-egyt 3886

    5. Egyt-3886

    6. Ethanamine,n,n-dimethyl-2-[[(1r,2s,4r)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl]oxy]-, (2e)-2-butenedioate (1:1)

    7. Egis 3886

    8. Unii-w1183ty0ee

    9. 2-phenyl-2-(dimethylaminoethoxy)-1,7,7-trimethylbicyclo(2.2.1)heptane Hemifumarate

    10. Schembl3138093

    11. Schembl7943241

    12. Deramciclane Fumarate [mi]

    13. 120444-72-6 (fumarate)

    14. Bd170166

    15. Ethanamine, N,n-dimethyl-2-(((1r,2s,4r)-1,7,7-trimethyl-2-phenylbicyclo(2.2.1)hept-2-yl)oxy)-, (2e)-2-butenedioate (1:1)

    16. Ethanamine, N,n-dimethyl-2-((1,7,7-trimethyl-2-phenylbicyclo(2.2.1)hept-2-yl)oxy)-, (1r-exo)-, (e)-2-butenedioate (1:1)

    17. Q27292167

    18. (1r,2s,4r)-n,n-dimethyl-2-((1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl)oxy)ethanamine 2(e)-butenedioate

    19. (e)-but-2-enedioic Acid;n,n-dimethyl-2-[[(1r,2s,4r)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine

    20. N,n-dimethyl-2-(((1r,2s,4r)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-yl)oxy)ethan-1-amine Fumarate

    2.4 Create Date
    2006-04-28
    3 Chemical and Physical Properties
    Molecular Weight 417.5 g/mol
    Molecular Formula C24H35NO5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count7
    Exact Mass417.25152322 g/mol
    Monoisotopic Mass417.25152322 g/mol
    Topological Polar Surface Area87.1 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity518
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Anxiety Agents

    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.)

    Serotonin Antagonists

    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.)

    Anticonvulsants

    Drugs used to prevent SEIZURES or reduce their severity. (See all compounds classified as Anticonvulsants.)

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