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Pseudoephedrine, Triprolidine Drug Combination

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Also known as: Pseudophedrine hydrochoride mixture with triprolidine hydrochloride, 8054-27-1, Trifed, (1s,2s)-2-(methylamino)-1-phenylpropan-1-ol;2-[(e)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine;dihydrochloride, Decondine, Dtxsid401009332

Molecular Formula

C₂₉H₃₉Cl₂N₃O

Molecular Weight

516.5 g/mol

InChI Key

CNBCKNGTUYBXON-PLLJCRPXSA-N

1 2D Structure

Pseudoephedrine, Triprolidine Drug Combination

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine;dihydrochloride

2.1.2 InChI

InChI=1S/C19H22N2.C10H15NO.2ClH/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21;1-8(11-2)10(12)9-6-4-3-5-7-9;;/h2-3,6-12H,4-5,13-15H2,1H3;3-8,10-12H,1-2H3;2*1H/b18-11+;;;/t;8-,10+;;/m.0../s1

2.1.3 InChI Key

CNBCKNGTUYBXON-PLLJCRPXSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC=N3.CC(C(C1=CC=CC=C1)O)NC.Cl.Cl

2.1.5 Isomeric SMILES

CC1=CC=C(C=C1)/C(=C\CN2CCCC2)/C3=CC=CC=N3.C[C@@H]([C@H](C1=CC=CC=C1)O)NC.Cl.Cl

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Actifed

2. Pseudoephedrine - Triprolidine

3. Pseudoephedrine, Triprolidine Drug Combination

4. Trifed

2.2.2 Depositor-Supplied Synonyms

1. Pseudophedrine Hydrochoride Mixture With Triprolidine Hydrochloride

2. 8054-27-1

3. Trifed

4. (1s,2s)-2-(methylamino)-1-phenylpropan-1-ol;2-[(e)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine;dihydrochloride

5. Decondine

6. Dtxsid401009332

7. Triprolidine And Pseudoephedrine

8. Triprolidine Mixture With Pseudoephedrine

9. Pseudoephedrine Mixture With Triprolidine

10. Benzenemethanol, Alpha-((1s)-1-(methylamino)ethyl)-, Hydrochloride, (alphas)-, Mixt. With 2-((1e)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl)pyridine Monohydrochloride

11. Benzenemethanol, Alpha-(1-(methylamino)ethyl)-, Hydrochloride, (s-(r*,r*))-, Mixt. With (e)-2-(1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl)pyridine Monohydrochloride

12. Triprolidine And Pseudoephedrine Hydrochlorides

13. Pseudoephedrine Hydrochloride And Triprolidine Hydrochloride

14. Triprolidine Hydrochloride And Pseudoephedrine Hydrochloride

2.3 Create Date

2006-04-28

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₃₉Cl₂N₃O
Molecular Weight	516.5 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	515.2470183 g/mol
Monoisotopic Mass	515.2470183 g/mol
Topological Polar Surface Area	48.4 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	457
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	4

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Histamine H1 Antagonists

Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood. (See all compounds classified as Histamine H1 Antagonists.)

Expectorants

Agents that increase mucous excretion. Mucolytic agents, that is drugs that liquefy mucous secretions, are also included here. (See all compounds classified as Expectorants.)

4.2 FDA Pharmacological Classification

4.2.1 Pharmacological Classes

alpha-Adrenergic Agonist [EPC]; Adrenergic alpha-Agonists [MoA]

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