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    Nsc-617553

    PharmaCompass
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    2D Structure
    Also known as: 113317-61-6, 119934-51-9, (+/-)-niguldipine hydrochloride, Niguldipine hydrochloride, (+/-)-, Nsc-617553, Niguldipine (hydrochloride)
    Molecular Formula
    C36H40ClN3O6
    Molecular Weight
    646.2  g/mol
    InChI Key
    MHOSUIMBPQVOEU-UHFFFAOYSA-N
    FDA UNII
    5QC11TLQ7K
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
    2.1.2 InChI
    InChI=1S/C36H39N3O6.ClH/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29;/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3;1H
    2.1.3 InChI Key
    MHOSUIMBPQVOEU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    5QC11TLQ7K
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-((4,4-diphenyl-1-piperidinyl)propyl)-5-methyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate Hydrochloride

    2. 3-methyl-5-(3-(4,4-diphenyl-1-piperidinyl)propyl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate

    3. B 844-39

    4. B 859-35

    5. B8509-035

    6. B859-35

    7. Dexniguldipine

    8. Dnig

    9. Niguldipine

    10. Niguldipine Fumarate

    11. Niguldipine Hydrobromide

    12. Niguldipine Maleate

    2.3.2 Depositor-Supplied Synonyms

    1. 113317-61-6

    2. 119934-51-9

    3. (+/-)-niguldipine Hydrochloride

    4. Niguldipine Hydrochloride, (+/-)-

    5. Nsc-617553

    6. Niguldipine (hydrochloride)

    7. 5qc11tlq7k

    8. B-844-39

    9. 5-o-[3-(4,4-diphenylpiperidin-1-yl)propyl] 3-o-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride

    10. 134886-09-2 (hcl)

    11. Dsstox_cid_26318

    12. Dsstox_rid_81534

    13. Dsstox_gsid_46318

    14. 3,5-pyridinedicarboxylic Acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(3-(4,4-diphenyl-1-piperidinyl)propyl) 5-methyl Ester, Hydrochloride (1:1)

    15. 3-(3-(4,4-diphenylpiperidin-1-yl)propyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Hydrochloride

    16. 3-3-(4,4-diphenyl-1-piperidyl)propyl 5-methyl 2,6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Hydrochloride

    17. (+/-) -niguldipine Hydrochloride (1:x)

    18. Cas-102992-93-8

    19. Unii-5qc11tlq7k

    20. Niguldipine Hcl

    21. Dexniquldipine Hcl

    22. Dl-niguldipine Hydrochloride

    23. Schembl9001404

    24. Chembl1965632

    25. Dtxsid20872307

    26. Tox21_112014

    27. Nsc617553

    28. Tox21_112014_1

    29. Ccg-207993

    30. Ncgc00025014-03

    31. 134886-09-2

    32. J-002947

    33. Q27262742

    34. 102992-93-8

    35. 3,5-pyridinedicarboxylic Acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-[3-(4,4-diphenyl-1-piperidinyl)propyl] 5-methyl Ester, Xhydrochloride

    36. 3-(4,4-diphenylpiperidin-1-yl)propyl Methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Hydrogen Chloride (1:1)

    37. 3-methyl 5-[3-(4,4-diphenyl-1-piperidinyl)-propyl] (-)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate Hydrochloride

    38. 3-methyl 5-[3-(4,4-diphenylpiperid-1-yl)-propyl] (+)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate Hydrochloride

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 646.2 g/mol
    Molecular Formula C36H40ClN3O6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count11
    Exact Mass645.2605637 g/mol
    Monoisotopic Mass645.2605637 g/mol
    Topological Polar Surface Area114 Ų
    Heavy Atom Count46
    Formal Charge0
    Complexity1100
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antineoplastic Agents

    Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

    Antihypertensive Agents

    Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS. (See all compounds classified as Antihypertensive Agents.)

    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.)

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