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    Etripamil

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1593673-23-4, Msp-2017, (-)-msp-2017, Ms)-msp-2017, S82a18y42p, Methyl (s)-3-(2-((4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)(methyl)amino)ethyl)benzoate
    Molecular Formula
    C27H36N2O4
    Molecular Weight
    452.6  g/mol
    InChI Key
    VAZNEHLGJGSQEL-MHZLTWQESA-N
    FDA UNII
    S82A18Y42P
    Etripamil has been used in trials studying the treatment of Paroxysmal Supraventricular Tachycardia (PSVT).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 3-[2-[[(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]ethyl]benzoate
    2.1.2 InChI
    InChI=1S/C27H36N2O4/c1-20(2)27(19-28,23-11-12-24(31-4)25(18-23)32-5)14-8-15-29(3)16-13-21-9-7-10-22(17-21)26(30)33-6/h7,9-12,17-18,20H,8,13-16H2,1-6H3/t27-/m0/s1
    2.1.3 InChI Key
    VAZNEHLGJGSQEL-MHZLTWQESA-N
    2.1.4 Canonical SMILES
    CC(C)C(CCCN(C)CCC1=CC(=CC=C1)C(=O)OC)(C#N)C2=CC(=C(C=C2)OC)OC
    2.1.5 Isomeric SMILES
    CC(C)[C@](CCCN(C)CCC1=CC(=CC=C1)C(=O)OC)(C#N)C2=CC(=C(C=C2)OC)OC
    2.2 Other Identifiers
    2.2.1 UNII
    S82A18Y42P
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Benzoic Acid, 3-(2-(((4s)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)methylamino)ethyl)-, Methyl Ester

    2. Methyl 3-(2-(((4s)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)(methyl)amino)ethyl)benzoate

    2.3.2 Depositor-Supplied Synonyms

    1. 1593673-23-4

    2. Msp-2017

    3. (-)-msp-2017

    4. Ms)-msp-2017

    5. S82a18y42p

    6. Methyl (s)-3-(2-((4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)(methyl)amino)ethyl)benzoate

    7. Benzoic Acid, 3-(2-(((4s)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)methylamino)ethyl)- , Methyl Ester

    8. Etripamil [usan:inn]

    9. Unii-s82a18y42p

    10. Etripamil [inn]

    11. Etripamil (usan/inn)

    12. Etripamil [usan]

    13. Etripamil [who-dd]

    14. Chembl3707312

    15. Ex-a5306

    16. Db12605

    17. Hy-17611

    18. Cs-0014689

    19. D10932

    20. Q27289030

    21. Benzoic Acid, 3-(2-(((4s)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)methylamino)ethyl)-, Methyl Ester

    22. Methyl 3-[2-[[(4s)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]ethyl]benzoate

    2.4 Create Date
    2015-07-27
    3 Chemical and Physical Properties
    Molecular Weight 452.6 g/mol
    Molecular Formula C27H36N2O4
    XLogP33.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count13
    Exact Mass452.26750763 g/mol
    Monoisotopic Mass452.26750763 g/mol
    Topological Polar Surface Area71.8 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity645
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    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

    Treatment of supraventricular arrhythmias

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Calcium Channel Blockers

    A class of drugs that act by selective inhibition of calcium influx through cellular membranes. (See all compounds classified as Calcium Channel Blockers.)