Levamlodipine Maleate

Synopsis, Chemistry

DOSSIERs // Finished Dosage Formulations

3 Dossiers, 3 FDA Orange Book

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2 APIs, 1 DOSSIERS // FDF

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Also known as: Amlodipine maleate, s-, 12ww9t2ita, Levamlodipine maleate [usan], 135969-53-8, Levamlodipine maleate (usan), Conjupri (tn)

Molecular Formula

C₂₄H₂₉ClN₂O₉

Molecular Weight

524.9 g/mol

InChI Key

TZNOWAJJWCGILX-HNUXRKMMSA-N

FDA UNII

12WW9T2ITA

1 2D Structure

Levamlodipine Maleate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(Z)-but-2-enedioic acid;3-O-ethyl 5-O-methyl (4S)-2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

2.1.2 InChI

InChI=1S/C20H25ClN2O5.C4H4O4/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;5-3(6)1-2-4(7)8/h5-8,17,23H,4,9-11,22H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t17-;/m0./s1

2.1.3 InChI Key

TZNOWAJJWCGILX-HNUXRKMMSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C(=CC(=O)O)C(=O)O

2.1.5 Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@@H]1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C(=C\C(=O)O)\C(=O)O

2.2 Other Identifiers

2.2.1 UNII

12WW9T2ITA

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Amlodipine Maleate, S-

2. 12ww9t2ita

3. Levamlodipine Maleate [usan]

4. 135969-53-8

5. Levamlodipine Maleate (usan)

6. Conjupri (tn)

7. Conjupri

8. Unii-12ww9t2ita

9. Schembl4732063

10. Chembl4594288

11. Levamlodipine Maleate [who-dd]

12. Levamlodipine Maleate [orange Book]

13. D11723

14. Q27251442

15. 3,5-pyridinedicarboxylic Acid, 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl Ester, (4s)-, (2z)-2-butenedioate (1:1)

16. 3-ethyl 5-methyl (4s)-2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate (2z)-but-2-enedioate

2.4 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₂₉ClN₂O₉
Molecular Weight	524.9 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	12
Exact Mass	524.1561582 g/mol
Monoisotopic Mass	524.1561582 g/mol
Topological Polar Surface Area	175 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	766
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2