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Chemistry

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Also known as: 111011-53-1, Efonidipine hcl, Efonidipine (hydrochloride), Nz 105, Nz-105 hydrochloride, Nz-105

Molecular Formula

C₃₄H₃₉ClN₃O₇P

Molecular Weight

668.1 g/mol

InChI Key

OXVTXPCIJDYQIS-UHFFFAOYSA-N

FDA UNII

3BR983K69O

1 2D Structure

Efonidipine Hydrochloride

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;hydrochloride

2.1.2 InChI

InChI=1S/C34H38N3O7P.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;/h5-17,20,31,35H,18-19,21-23H2,1-4H3;1H

2.1.3 InChI Key

OXVTXPCIJDYQIS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

3BR983K69O

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. 111011-53-1

2. Efonidipine Hcl

3. Efonidipine (hydrochloride)

4. Nz 105

5. Nz-105 Hydrochloride

6. Nz-105

7. 3br983k69o

8. 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

9. 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;hydrochloride

10. 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

11. Ccris 4065

12. Unii-3br983k69o

13. Efonidipine Hydrochloride [jan]

14. Schembl332377

15. Dtxsid20911942

16. Act06292

17. Bcp16454

18. Ex-a3999

19. Hy-12502b

20. Efonidipine Hydrochloride [mi]

21. Akos025294085

22. Cs-3624

23. Efonidipine Hydrochloride [mart.]

24. Ac-36442

25. Efonidipine Hydrochloride [who-dd]

26. A921491

27. J-002504

28. Q27257012

29. (+/-)-2-[benzyl(phenyl)amino]ethyl-1,4-dihydro-2,6-dimethyl-5-(5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-3-pyridinecarboxylate Hydrochloride

30. 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 Hydrochloride

31. 2-(benzyl(phenyl)amino)ethyl5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylatehydrochloride

32. 2-(n-benzylanilino)ethyl (+/-)-1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-5-phosphononicotinate, Cyclic 2,2-dimethyltrimethylene Ester, Hydrochloride

33. 2-(n-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2$l^{5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate;hydrochloride

34. 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate--hydrogen Chloride (1/1)

35. 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, Hydrochloride (1:1)

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₃₄H₃₉ClN₃O₇P
Molecular Weight	668.1 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	10
Exact Mass	667.2214153 g/mol
Monoisotopic Mass	667.2214153 g/mol
Topological Polar Surface Area	123 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	1170
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

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.)

Diuretics

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

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