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    Cafedrine

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 12,754Xls

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    2D Structure
    Also known as: Norephendrinetheophylline, 58166-83-9, Cafedrinum, 14535-83-2, 7-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione, Cafedrine (ban)
    Molecular Formula
    C18H23N5O3
    Molecular Weight
    357.4  g/mol
    InChI Key
    UJSKUDDDPKGBJY-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione
    2.1.2 InChI
    InChI=1S/C18H23N5O3/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2/h4-8,11-12,15,19,24H,9-10H2,1-3H3
    2.1.3 InChI Key
    UJSKUDDDPKGBJY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C(C1=CC=CC=C1)O)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 7-(2-(1-methyl-2-hydroxy-2-phenylethylamino)ethyl)theophylline

    2. Cafedrine Hydrochloride

    3. Norephendrinetheophylline

    4. Norephendrinetheophylline Mono-hydrochloride, (r-(r*,s*))-isomer

    2.2.2 Depositor-Supplied Synonyms

    1. Norephendrinetheophylline

    2. 58166-83-9

    3. Cafedrinum

    4. 14535-83-2

    5. 7-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione

    6. Cafedrine (ban)

    7. Schembl147271

    8. Chembl2104207

    9. Dtxsid50866678

    10. 7-(2-(1-methyl-2-hydroxy-2-phenylethylamino)ethyl)theophylline Monohydrochloride

    11. D07151

    12. 7-[2-(2-hydroxy-1 Methyl-2-phenylethyl-amino)ethyl]theophylline

    13. 1h-purine-2,6-dione, 3,7-dihydro-7-(2-((2-hydroxy-1-methyl-2-phenylethyl)amino)ethyl)-1,3-dimethyl- (van)

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 357.4 g/mol
    Molecular Formula C18H23N5O3
    XLogP30.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass357.18008961 g/mol
    Monoisotopic Mass357.18008961 g/mol
    Topological Polar Surface Area90.7 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity525
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    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.)

    Vasodilator Agents

    Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)

    4.2 ATC Code

    C - Cardiovascular system

    C01 - Cardiac therapy

    C01C - Cardiac stimulants excl. cardiac glycosides

    C01CA - Adrenergic and dopaminergic agents

    C01CA21 - Cafedrine