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2D Structure
Also known as: Trandolapril mixture with verapamil, Verapamil mixture with trandolapril, Trandolapril/verapamil hydrochloride er, Trandolapril mixture with verapamil hcl, Trandolapril plus verapamil hydrochloride, Trandolapril-verapamil hydrochloride mixt.
Molecular Formula
C51H73ClN4O9
Molecular Weight
921.6  g/mol
InChI Key
PPAGZPRHIOKKLV-WDFOJNLTSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride
2.1.2 InChI
InChI=1S/C27H38N2O4.C24H34N2O5.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29;/h9-12,17-18,20H,8,13-16H2,1-7H3;4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29);1H/t;16-,18+,19-,20-,21-;/m.0./s1
2.1.3 InChI Key
PPAGZPRHIOKKLV-WDFOJNLTSA-N
2.1.4 Canonical SMILES
CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCCC3CC2C(=O)O.CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
2.1.5 Isomeric SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C(=O)O.CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Trandolapril Mixture With Verapamil

2. Verapamil Mixture With Trandolapril

3. Trandolapril/verapamil Hydrochloride Er

4. Trandolapril Mixture With Verapamil Hcl

5. Trandolapril Plus Verapamil Hydrochloride

6. Trandolapril-verapamil Hydrochloride Mixt.

7. Trandolapril Mixture With Verapamil Hydrochloride

8. Schembl2526928

9. 146994-90-3

10. 1h-indole-2-carboxylic Acid, 1-((2s)-2-(((1s)-1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)octahydro-, (2s,3ar,7as)-, Mixt. With Alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile Monohydrochloride

2.3 Create Date
2008-07-11
3 Chemical and Physical Properties
Molecular Weight 921.6 g/mol
Molecular Formula C51H73ClN4O9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count23
Exact Mass920.5066076 g/mol
Monoisotopic Mass920.5066076 g/mol
Topological Polar Surface Area160 Ų
Heavy Atom Count65
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
4 Drug and Medication Information
4.1 Drug Information
1 of 1  
Drug NameTRANDOLAPRIL AND VERAPAMIL HYDROCHLORIDE
Active IngredientTRANDOLAPRIL; VERAPAMIL HYDROCHLORIDE
CompanyGLENMARK GENERICS (Application Number: A079135)

5 Pharmacology and Biochemistry
5.1 FDA Pharmacological Classification
5.1.1 Pharmacological Classes
Angiotensin-converting Enzyme Inhibitors [MoA]; Calcium Channel Antagonists [MoA]; Calcium Channel Blocker [EPC]; Cytochrome P450 3A Inhibitors [MoA]; Cytochrome P450 3A4 Inhibitors [MoA]; P-Glycoprotein Inhibitors [MoA]; Angiotensin Converting Enzyme Inhibitor [EPC]