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    Chemistry

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    Also known as: 5560-59-8, Alverine (citrate), Antispasmin, Spacolin, Gamatran citrate, Nsc 35459
    Molecular Formula
    C26H35NO7
    Molecular Weight
    473.6  g/mol
    InChI Key
    RYHCACJBKCOBTJ-UHFFFAOYSA-N
    FDA UNII
    9JFB58YK1E
    Alverine
    1 2D Structure

    Alverine

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
    2.1.2 InChI
    InChI=1S/C20H27N.C6H8O7/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,11-14H,2,9-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
    2.1.3 InChI Key
    RYHCACJBKCOBTJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCN(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    9JFB58YK1E
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Alverine

    2. Alverine Hydrochloride

    3. Spasmaverine

    4. Spasmonal

    2.3.2 Depositor-Supplied Synonyms

    1. 5560-59-8

    2. Alverine (citrate)

    3. Antispasmin

    4. Spacolin

    5. Gamatran Citrate

    6. Nsc 35459

    7. Spasmaverine

    8. Alverine Citrate Salt

    9. Calmabel

    10. Profenine

    11. Prophelan

    12. Proverine

    13. Profenil Citrate

    14. Nci 85x

    15. Alverine Citrate [usan]

    16. Nsc-35459

    17. Phenpropamine Citrate

    18. N-ethyl-3,3'-diphenyldipropylamine Citrate (1:1)

    19. 9jfb58yk1e

    20. Mls000069524

    21. 5560-59-8 (citrate)

    22. Chebi:53785

    23. N-ethyl-3-phenyl-n-(3-phenylpropyl)propan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate

    24. Dipropylamine, N-ethyl-3,3'-diphenyl-, Citrate (1:1)

    25. Ncgc00017047-01

    26. Smr000058631

    27. Cas-5560-59-8

    28. Alverine Citrate (usan)

    29. Benzenepropanamine, N-ethyl-n-(3-phenylpropyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

    30. Dsstox_cid_25562

    31. Dsstox_rid_80959

    32. Dsstox_gsid_45562

    33. Alverine Dihydrogen Citrate

    34. N-ethyl-3-phenyl-n-(3-phenylpropyl)propan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic Acid

    35. Sr-01000003029

    36. Unii-9jfb58yk1e

    37. Alverine Citrate [usan:nf]

    38. Prestwick_912

    39. Einecs 226-929-3

    40. Alverinecitrate

    41. Opera_id_1477

    42. Dipropylamine, N-ethyl-3,3'-diphenyl-, Citrate

    43. N-ethyl-bis(3-phenylpropyl)amin-dihydrogencitrat

    44. Mls001148462

    45. Mls002207301

    46. Mls002222279

    47. Mls004712036

    48. Alverine Citrate [mi]

    49. Schembl352008

    50. Spectrum1500109

    51. Regid_for_cid_21718

    52. Chembl1408594

    53. Dtxsid3045562

    54. Alverine Citrate [mart.]

    55. Alverine Citrate [who-dd]

    56. Hms1568d09

    57. Hms1920a17

    58. Hms2091g17

    59. Hms2095d09

    60. Hms2232d03

    61. Hms3371i14

    62. Hms3651f18

    63. Hms3712d09

    64. Hms3885o05

    65. Pharmakon1600-01500109

    66. Hy-b0500

    67. Tox21_110757

    68. Dipropylamine,3'-diphenyl-, Citrate

    69. Mfcd00035086

    70. Nsc755859

    71. S3054

    72. Akos015895657

    73. Tox21_110757_1

    74. Alverine Citrate [ep Monograph]

    75. Ccg-212472

    76. Nsc-755859

    77. Ncgc00017047-02

    78. Ncgc00017047-03

    79. Ncgc00021122-08

    80. Ncgc00094581-01

    81. Ncgc00094581-02

    82. As-56723

    83. Db-052764

    84. N-ethyl-3,3'-diphenyldipropylamine Citrate

    85. Dipropylamine,3'-diphenyl-, Citrate (1:1)

    86. Ft-0622247

    87. Sw197030-3

    88. A16396

    89. D02877

    90. D84224

    91. A830720

    92. Sr-01000003029-2

    93. Sr-01000003029-4

    94. Q27124210

    95. Benzenepropanamine, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

    96. Citric Acid; N-ethyl-3-phenyl-n-(3-phenylpropyl)propan-1-amine

    97. 2-hydroxypropane-1,2,3-tricarboxylic Acid; Ethylbis(3-phenylpropyl)amine

    98. Alverine Citrate Salt, European Pharmacopoeia (ep) Reference Standard

    99. Alverine For Peak Identification, European Pharmacopoeia (ep) Reference Standard

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 473.6 g/mol
    Molecular Formula C26H35NO7
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count14
    Exact Mass473.24135246 g/mol
    Monoisotopic Mass473.24135246 g/mol
    Topological Polar Surface Area135 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity442
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Parasympatholytics

    Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS. (See all compounds classified as Parasympatholytics.)

    API Reference Price

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    27-Mar-2021
    22-Apr-2024
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