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2D Structure
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

2D Structure

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 Weight 668.1 g/mol
Molecular Formula C34H39ClN3O7P
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass667.2214153 g/mol
Monoisotopic Mass667.2214153 g/mol
Topological Polar Surface Area123 Ų
Heavy Atom Count46
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 Count2
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.)