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    Also known as: Diphenoxylate hcl, 3810-80-8, Diphenoxylate hydrochloride cii, W24od7yw48, Diphenoxylate hydrochloride [usp], R-1132 (antiperistaltic)
    Molecular Formula
    C30H33ClN2O2
    Molecular Weight
    489.0  g/mol
    InChI Key
    SHTAFWKOISOCBI-UHFFFAOYSA-N
    FDA UNII
    W24OD7YW48
    Diphenoxylate Hydrochloride
    A MEPERIDINE congener used as an antidiarrheal, usually in combination with ATROPINE. At high doses, it acts like morphine. Its unesterified metabolite difenoxin has similar properties and is used similarly. It has little or no analgesic activity.
    1 2D Structure

    Diphenoxylate Hydrochloride

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
    2.1.2 InChI
    InChI=1S/C30H32N2O2.ClH/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-17H,2,18-23H2,1H3;1H
    2.1.3 InChI Key
    SHTAFWKOISOCBI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1(CCN(CC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    W24OD7YW48
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Diphenoxylate

    2. Diphenoxylate Monohydrochloride

    3. Hydrochloride, Diphenoxylate

    4. Monohydrochloride, Diphenoxylate

    2.3.2 Depositor-Supplied Synonyms

    1. Diphenoxylate Hcl

    2. 3810-80-8

    3. Diphenoxylate Hydrochloride Cii

    4. W24od7yw48

    5. Diphenoxylate Hydrochloride [usp]

    6. R-1132 (antiperistaltic)

    7. Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate Monohydrochloride

    8. 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic Acid Ethyl Ester Hydrochloride

    9. Dsstox_cid_27821

    10. Dsstox_rid_82584

    11. Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate;hydrochloride

    12. Dsstox_gsid_47843

    13. 4-piperidinecarboxylic Acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, Ethyl Ester, Monohydrochloride

    14. Diphenoxylate Hydrochloride (usp)

    15. Chebi:59784

    16. Cas-3810-80-8

    17. Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate Hydrochloride

    18. Ncgc00167963-01

    19. Ncgc00167963-02

    20. R 1132 (antiperistaltic)

    21. Unii-w24od7yw48

    22. Einecs 223-287-6

    23. Diphenoxylati Hydrochloridum

    24. R 1132

    25. Schembl42124

    26. Mls001401383

    27. Chembl1200665

    28. Dtxsid3047843

    29. Diphenoxylate For System Suitability

    30. Tox21_112593

    31. Tox21_112825

    32. Akos027382491

    33. Tox21_112593_1

    34. Ccg-101002

    35. Nc00252

    36. Diphenoxylate Hydrochloride [mi]

    37. Isonipecotic Acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, Ethyl Ester, Monohydrochloride

    38. Ncgc00167963-03

    39. Smr000469140

    40. Diphenoxylate Hydrochloride [mart.]

    41. Diphenoxylate Hydrochloride [vandf]

    42. Diphenoxylate Hydrochloride [usp-rs]

    43. Diphenoxylate Hydrochloride [who-dd]

    44. Diphenoxylate Hydrochloride [who-ip]

    45. D03860

    46. Diphenoxylate Hydrochloride [orange Book]

    47. Diphenoxylate Hydrochloride [ep Monograph]

    48. Diphenoxylate Hydrochloride [usp Monograph]

    49. Diphenoxylati Hydrochloridum [who-ip Latin]

    50. Logen Component Diphenoxylate Hydrochloride

    51. Lonox Component Diphenoxylate Hydrochloride

    52. Colonaid Component Diphenoxylate Hydrochloride

    53. Di-atro Component Diphenoxylate Hydrochloride

    54. Lo-trol Component Diphenoxylate Hydrochloride

    55. Lomanate Component Diphenoxylate Hydrochloride

    56. Lomotil Component Diphenoxylate Hydrochloride

    57. Q-201004

    58. Diphenoxylate Hydrochloride Component Of Logen

    59. Diphenoxylate Hydrochloride Component Of Lomotil

    60. Diphenoxylate Hydrochloride Component Of Lonox

    61. Low-quel Component Diphenoxylate Hydrochloride

    62. Q27126896

    63. Diphenoxylate Hydrochloride Component Of Colonaid

    64. Diphenoxylate Hydrochloride Component Of Di-atro

    65. Diphenoxylate Hydrochloride Component Of Lo-trol

    66. Diphenoxylate Hydrochloride Component Of Lomanate

    67. Diphenoxylate Hydrochloride Component Of Low-quel

    68. 4-ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile, Hydrochloride

    69. Isonipecotic Acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, Ethyl Ester, Hydrochloride

    70. Diphenoxylate Hydrochloride Solution, 1.0 Mg/ml In Acetonitrile (as Free Base), Ampule Of 1 Ml, Certified Reference Material

    2.4 Create Date
    2006-04-28
    3 Chemical and Physical Properties
    Molecular Weight 489.0 g/mol
    Molecular Formula C30H33ClN2O2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count9
    Exact Mass488.2230560 g/mol
    Monoisotopic Mass488.2230560 g/mol
    Topological Polar Surface Area53.3 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity666
    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

    Antidiarrheals

    Miscellaneous agents found useful in the symptomatic treatment of diarrhea. They have no effect on the agent(s) that cause diarrhea, but merely alleviate the condition. (See all compounds classified as Antidiarrheals.)

    Analgesics, Opioid

    Compounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS. (See all compounds classified as Analgesics, Opioid.)

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    29-Apr-2021
    30-Mar-2024
    KGS
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