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    Naronapride

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: 860174-12-5, Ati-7505, Naronapride [usan:inn], Naronapride free base, Ati7505, Unii-058896b00b
    Molecular Formula
    C27H41ClN4O5
    Molecular Weight
    537.1  g/mol
    InChI Key
    VGDDOIZXGFJDRC-VJTSUQJLSA-N
    FDA UNII
    058896B00B
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 6-[(3S,4R)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]hexanoate
    2.1.2 InChI
    InChI=1S/C27H41ClN4O5/c1-35-23-15-21(29)20(28)14-19(23)27(34)30-22-9-13-31(17-25(22)36-2)10-5-3-4-6-26(33)37-24-16-32-11-7-18(24)8-12-32/h14-15,18,22,24-25H,3-13,16-17,29H2,1-2H3,(H,30,34)/t22-,24+,25+/m1/s1
    2.1.3 InChI Key
    VGDDOIZXGFJDRC-VJTSUQJLSA-N
    2.1.4 Canonical SMILES
    COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCCCC(=O)OC3CN4CCC3CC4
    2.1.5 Isomeric SMILES
    CO[C@H]1CN(CC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCCCC(=O)O[C@H]3CN4CCC3CC4
    2.2 Other Identifiers
    2.2.1 UNII
    058896B00B
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (3r)-1-azabicyclo(2.2.2)oct-3-yl 6-((3s,4r)-4-((4-amino-5-chloro-2-methoxybenzoyl)amino)-3-methoxy-1-piperidinyl)hexanoate

    2. Ati 7505

    3. Ati-7505

    4. Ati7505

    2.3.2 Depositor-Supplied Synonyms

    1. 860174-12-5

    2. Ati-7505

    3. Naronapride [usan:inn]

    4. Naronapride Free Base

    5. Ati7505

    6. Unii-058896b00b

    7. Ati 7505

    8. 058896b00b

    9. (3r)-1-azabicyclo(2.2.2)oct-3-yl 6-((3s,4r)-4-((4-amino-5-chloro-2-methoxybenzoyl)amino)-3-methoxy-1-piperidinyl)hexanoate

    10. 1-piperidinehexanoic Acid, 4-((4-amino-5-chloro-2-methoxybenzoyl)amino)-3-methoxy-, (3r)-1-azabicyclo(2.2.2)oct-3-yl Ester, (3s,4r)-

    11. Naronapride [usan]

    12. [(3r)-1-azabicyclo[2.2.2]octan-3-yl] 6-[(3s,4r)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]hexanoate

    13. Naronapride [inn]

    14. Naronapride (usan/inn)

    15. Naronapride [who-dd]

    16. Schembl731063

    17. Chembl2103858

    18. Dtxsid401006590

    19. 860174-12-5 (free Base)

    20. Db05542

    21. Hy-121826

    22. Cs-0083508

    23. Ns00071036

    24. D09933

    25. Q27236096

    26. (3r)-1-azabicyclo(2.2.2)oct-3-yl 6-((3s,4r)-4-((4-amino-5-chloro-2- Methoxybenzoyl)amino)-3-methoxypiperidin-1-yl)hexanoate

    27. (r)-quinuclidin-3-yl 6-((3s,4r)-4-(4-amino-5-chloro-2-methoxybenzamido)-3-methoxypiperidin-1-yl)hexanoate

    28. 1-piperidinehexanoic Acid, 4-((4-amino-5-chloro-2-methoxybenzoyl)amino)-3-methoxy-, 1-azabicyclo(2.2.2)oct-3-yl Ester, (3s,4r)-

    29. 4-amino-n-(1-{6-[(1-azabicyclo[2.2.2]octan-3-yl)oxy]-6-oxohexyl}-3-methoxypiperidin-4-yl)-5-chloro-2-methoxybenzene-1-carboximidic Acid

    2.3.3 Other Synonyms

    1. Naronapride Free Base

    2. Ati-7505

    3. Cas 860174-12-5

    4. Ati 7505

    5. 860174-12-5

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 537.1 g/mol
    Molecular Formula C27H41ClN4O5
    XLogP32.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count12
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area106
    Heavy Atom Count37
    Formal Charge0
    Complexity752
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Investigated for use/treatment in gastroesophageal reflux disease (GERD) and gastroparesis.

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Serotonin 5-HT4 Receptor Agonists

    Endogenous compounds and drugs that specifically stimulate SEROTONIN 5-HT4 RECEPTORS. (See all compounds classified as Serotonin 5-HT4 Receptor Agonists.)