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    Also known as: 111011-76-8, Efonidipine hydrochloride monoethanolate, Efonidipine hydrochloride ethanol, Landel, Nz 105 ethanolate, Efonidipine.hcl ethanolate
    Molecular Formula
    C36H45ClN3O8P
    Molecular Weight
    714.2  g/mol
    InChI Key
    IKBJGZQVVVXCEQ-UHFFFAOYSA-N
    FDA UNII
    84HJ0Q6TMN
    CAS 111011-76-8
    1 2D Structure

    CAS 111011-76-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,25-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate;ethanol;hydrochloride
    2.1.2 InChI
    InChI=1S/C34H38N3O7P.C2H6O.ClH/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45;1-2-3;/h5-17,20,31,35H,18-19,21-23H2,1-4H3;3H,2H2,1H3;1H
    2.1.3 InChI Key
    IKBJGZQVVVXCEQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCO.CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    84HJ0Q6TMN
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylic Acid, 2-(phenyl(phenylmethyl)amino) Ethyl Ester, P-oxide, Hydrochloride

    2. Efonidipine

    3. Enfonidipine Hydrochloride

    4. Nz 105

    5. Nz-105

    2.3.2 Depositor-Supplied Synonyms

    1. 111011-76-8

    2. Efonidipine Hydrochloride Monoethanolate

    3. Efonidipine Hydrochloride Ethanol

    4. Landel

    5. Nz 105 Ethanolate

    6. Efonidipine.hcl Ethanolate

    7. Efonidipine (hydrochloride Monoethanolate)

    8. 84hj0q6tmn

    9. Nz-105

    10. 2-(n-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate;ethanol;hydrochloride

    11. 3-pyridinecarboxylicacid,1,4-dihydro-2,6-dimethyl-5-(5,5-dimethyl-1,3,2-dioxa

    12. Efonidipine Hydrochloride Ethanolate (jan)

    13. Efonidipine Hydrochloride Ethanolate [jan]

    14. Efonidipine Hcl Ethanolate

    15. Unii-84hj0q6tmn

    16. Landel (tn)

    17. Ethanol, Compd. With 2-(phenyl(phenylmethyl)amino)ethyl 5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate P-oxide Monohydrochloride (1:1)

    18. Ethanol, Compd. With 2-(phenyl(phenylmethyl)amino)ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate Monohydrochloride

    19. Mls004712053

    20. Schembl909286

    21. Dtxsid5020150

    22. Chebi:31532

    23. Bcp33396

    24. Ex-a4000

    25. Nz-105 Hydrochloride Monoethanolate

    26. Efonidipine Hcl Monoethanolate

    27. Hy-12502a

    28. S5898

    29. Akos024457778

    30. Cs-3622

    31. 2-[phenyl(phenylmethyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate - Ethanol (1:1) Hydrochloride

    32. 3-pyridinecarboxylic Acid, 1,4-dihydro-2,6-dimethyl-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-, 2-(phenyl(phenylmethyl)amino)ethyl Ester, P-oxide, Monohydrochloride

    33. 3-pyridinecarboxylic Acid, 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(phenyl(phenylmethyl)amino)ethyl Ester, Monohydrochloride, Compd. With Ethanol (1;1)

    34. As-17272

    35. Smr003475016

    36. C71370

    37. D01604

    38. Efonidipine Hydrochloride Ethanolate [mi]

    39. (+/-)-efonidipine Hydrochloride Ethanolate

    40. A907952

    41. Q27269529

    42. Efonidipine Hydrochloride Monoethanolate, >=98% (hplc)

    43. 2-(benzyl(phenyl)amino)ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Compound With Ethanol (1:1) Hydrochloride

    44. 2-(benzyl(phenyl)amino)ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Ethanol Hydrochloride

    45. 3-pyridinecarboxylic Acid, 5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(phenyl(phenylmethyl)amino)ethyl Ester, P-oxide, Monohydrochloride, Compd. With Ethanol (1:1)

    46. 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylic Acid 2-[phenyl(phenylmethyl)amino]ethyl Ester Hydrochloride Monoethanolate

    47. Efonidipine Hydrochloride Monoethanolate;efonidipine Hcl H2o;nz-105 Hydrochloride Monoethanolate

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 714.2 g/mol
    Molecular Formula C36H45ClN3O8P
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count10
    Exact Mass713.2632801 g/mol
    Monoisotopic Mass713.2632801 g/mol
    Topological Polar Surface Area143 Ų
    Heavy Atom Count49
    Formal Charge0
    Complexity1170
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Diuretics

    Agents that promote the excretion of urine through their effects on kidney function. (See all compounds classified as Diuretics.)

    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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