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2D Structure
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

2D Structure

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 Weight 516.5 g/mol
Molecular Formula C29H39Cl2N3O
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass515.2470183 g/mol
Monoisotopic Mass515.2470183 g/mol
Topological Polar Surface Area48.4 Ų
Heavy Atom Count35
Formal Charge0
Complexity457
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count4
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]