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    Barnidipine Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
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    2D Structure
    Also known as: Barnidipine hcl, 104757-53-1, Mepirodipine hydrochloride, Barnidipine hydrochloride [jan], Barnidipine (hydrochloride), 7lz6r3aem1
    Molecular Formula
    C27H30ClN3O6
    Molecular Weight
    528.0  g/mol
    InChI Key
    XEMPUKIZUCIZEY-YSCHMLPRSA-N
    FDA UNII
    7LZ6R3AEM1
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-O-[(3S)-1-benzylpyrrolidin-3-yl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
    2.1.2 InChI
    InChI=1S/C27H29N3O6.ClH/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19;/h4-11,14,22,25,28H,12-13,15-16H2,1-3H3;1H/t22-,25-;/m0./s1
    2.1.3 InChI Key
    XEMPUKIZUCIZEY-YSCHMLPRSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(C(=C(N1)C)C(=O)OC2CCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl
    2.1.5 Isomeric SMILES
    CC1=C([C@@H](C(=C(N1)C)C(=O)O[C@H]2CCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    7LZ6R3AEM1
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-benzyl-3-pyrrolidinyl Methyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

    2. Barnidipine

    3. Cyress

    4. Libradin

    5. Mepirodipine

    6. Mepirodipine Hydrobromide, (s,s)-isomer

    7. Mepirodipine Hydrochloride, (r,r)-isomer

    8. Mepirodipine Hydrochloride, (r,s)-isomer

    9. Mepirodipine Hydrochloride, (s,r)-isomer

    10. Mepirodipine Hydrochloride, (s,s)-isomer

    11. Mepirodipine Malate, (s,s)-isomer

    12. Mepirodipine Oxalate, (r,s)-isomer

    13. Mepirodipine Oxalate, (s,s)-isomer

    14. Mepirodipine, (r,r)-isomer

    15. Mepirodipine, (r,s)-isomer

    16. Mepirodipine, (s,r)-isomer

    17. Ym 09730

    18. Ym-09730

    2.3.2 Depositor-Supplied Synonyms

    1. Barnidipine Hcl

    2. 104757-53-1

    3. Mepirodipine Hydrochloride

    4. Barnidipine Hydrochloride [jan]

    5. Barnidipine (hydrochloride)

    6. 7lz6r3aem1

    7. Chembl2093893

    8. 104757-53-1 (hcl)

    9. Barnidipine Hydrochloride (jan)

    10. (s)-3-((s)-1-benzylpyrrolidin-3-yl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Hydrochloride

    11. 3-((s)-1-benzylpyrrolidin-3-yl) 5-methyl (s)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Hydrochloride

    12. Unii-7lz6r3aem1

    13. Cyress

    14. Hypoca

    15. Ym730

    16. Hypoca (tn)

    17. Ym-09730-5

    18. Barnidipinehydrochloride

    19. Ly198561

    20. Ym09730-5

    21. Ncgc00181772-01

    22. Ym 09730-5

    23. Dsstox_cid_28580

    24. Dsstox_rid_82851

    25. Dsstox_gsid_48654

    26. Schembl347963

    27. Chembl2356712

    28. Dtxsid8048654

    29. Chebi:31253

    30. Bcp12810

    31. Tox21_113010

    32. Bdbm50226128

    33. Eu-730

    34. Mfcd00915772

    35. Ym-730

    36. Barnidipine Hydrochloride [mi]

    37. Barnidipine Hydrochloride [mart.]

    38. (s-(r*,r*))-methyl 1-(phenylmethyl)-3-pyrrolidinyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

    39. Barnidipine Hydrochloride [who-dd]

    40. Hy-107322

    41. Ly-198561

    42. Cas-104757-53-1

    43. Cs-0028139

    44. D01104

    45. 757b531

    46. J-001245

    47. Q27268545

    48. (+)-(3's,4s)-1-benzyl-3-pyrrolidinyl Methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate Hydrochloride

    49. 3,5-pyridinedicarboxylic Acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, Methyl 1-(phenylmethyl)-3-pyrrolidinyl Ester, Hydrochloride, (s-(r*,r*))-

    50. 3,5-pyridinedicarboxylic Acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, Methyl 1-(phenylmethyl)-3-pyrrolidinyl Ester, Monohydrochloride, (s-(r*,r*))-

    51. 5-o-[(3s)-1-benzylpyrrolidin-3-yl] 3-o-methyl (4s)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 528.0 g/mol
    Molecular Formula C27H30ClN3O6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count8
    Exact Mass527.1823134 g/mol
    Monoisotopic Mass527.1823134 g/mol
    Topological Polar Surface Area114 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity917
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    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

    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.)