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

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    Ecopipam

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    2D Structure
    1. Also known as: 112108-01-7, Sch-39166, Ecopipam [inn], Sch 39166, Sch39166, Chembl298406
    Molecular Formula
    C19H20ClNO
    Molecular Weight
    313.8  g/mol
    InChI Key
    DMJWENQHWZZWDF-PKOBYXMFSA-N
    FDA UNII
    0X748O646K
    Ecopipam has been used in trials studying the treatment of Tourette's Syndrome, Lesch-Nyhan Disease, Pathological Gambling, and Self-injurious Behavior.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol
    2.1.2 InChI
    InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1
    2.1.3 InChI Key
    DMJWENQHWZZWDF-PKOBYXMFSA-N
    2.1.4 Canonical SMILES
    CN1CCC2=CC(=C(C=C2C3C1CCC4=CC=CC=C34)O)Cl
    2.1.5 Isomeric SMILES
    CN1CCC2=CC(=C(C=C2[C@@H]3[C@@H]1CCC4=CC=CC=C34)O)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    0X748O646K
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 6,7,7a,8,9,13b-hexahydro-3-chloro-2-hydroxy-n-methyl-5h-benzo(d)naphtho-(2,1b)azepine

    2. Sch 39166

    3. Sch-39166

    4. Sch39166

    2.3.2 Depositor-Supplied Synonyms

    1. 112108-01-7

    2. Sch-39166

    3. Ecopipam [inn]

    4. Sch 39166

    5. Sch39166

    6. Chembl298406

    7. 0x748o646k

    8. 5h-benzo(d)naphth(2,1-b)azepin-12-ol, 11-chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-, (6as,13br)-

    9. Dsstox_cid_23814

    10. Dsstox_rid_80075

    11. Dsstox_gsid_43814

    12. (-)-(6as,13br)-11-chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-5h-benzo(d)naphth(2,1-b)azepin-12-ol

    13. (6as,13br)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexahydro-5h-benzo[d]naphtho[2,1-b]azepin-12-ol

    14. Cas-112108-01-7

    15. Ncgc00092362-01

    16. Unii-0x748o646k

    17. Ecopipam [who-dd]

    18. 6,7,7a,8,9,13b-hexahydro-3-chloro-2-hydroxy-n-methyl-5h-benzo(d)naphtho(2,1b)azepine

    19. 5h-benzo(d)naphth(2,1-b)azepin-12-ol, 11-chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-, Trans-(-)-

    20. Psyrx-101

    21. Gtpl3304

    22. Schembl1649794

    23. Zinc3897

    24. Dtxsid8043814

    25. Chebi:93645

    26. 11-chloro-7-methyl-5,6a,7,8,9,13b-hexahydro-6h-7-aza-benzo[6,7]cyclohepta[1,2-a]naphthalen-12-ol

    27. Tox21_111197

    28. Bdbm50004823

    29. Tox21_111197_1

    30. Db12273

    31. (6as,13br)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol

    32. Ncgc00092362-02

    33. Hy-14690

    34. Cs-0003511

    35. Q5333851

    36. Brd-k94270326-004-01-0

    37. (6as,13br)-11-chloro-7-methyl-5,6a,7,8,9,13b-hexahydro-6h-7-aza-benzo[6,7]cyclohepta[1,2-a]naphthalen-12-ol

    38. Trans-(-) 11-chloro-7-methyl-5,6a,7,8,9,13b-hexahydro-6h-7-aza-benzo[6,7]cyclohepta[1,2-a]naphthalen-12-ol

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 313.8 g/mol
    Molecular Formula C19H20ClNO
    XLogP34.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass313.1233420 g/mol
    Monoisotopic Mass313.1233420 g/mol
    Topological Polar Surface Area23.5 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity403
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antipsychotic Agents

    Agents that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. They are used in SCHIZOPHRENIA; senile dementia; transient psychosis following surgery; or MYOCARDIAL INFARCTION; etc. These drugs are often referred to as neuroleptics alluding to the tendency to produce neurological side effects, but not all antipsychotics are likely to produce such effects. Many of these drugs may also be effective against nausea, emesis, and pruritus. (See all compounds classified as Antipsychotic Agents.)

    Dopamine Antagonists

    Drugs that bind to but do not activate DOPAMINE RECEPTORS, thereby blocking the actions of dopamine or exogenous agonists. Many drugs used in the treatment of psychotic disorders (ANTIPSYCHOTIC AGENTS) are dopamine antagonists, although their therapeutic effects may be due to long-term adjustments of the brain rather than to the acute effects of blocking dopamine receptors. Dopamine antagonists have been used for several other clinical purposes including as ANTIEMETICS, in the treatment of Tourette syndrome, and for hiccup. Dopamine receptor blockade is associated with NEUROLEPTIC MALIGNANT SYNDROME. (See all compounds classified as Dopamine Antagonists.)

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