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    Butalamine Hydrochloride

    PharmaCompass
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    2D Structure
    Also known as: Butalamine hcl, 28875-47-0, 56974-46-0, N,n-dibutyl-n'-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylenediamine hydrochloride, Adrevil, Hemotrope
    Molecular Formula
    C18H29ClN4O
    Molecular Weight
    352.9  g/mol
    InChI Key
    ZCEDBAQIHPGWNW-UHFFFAOYSA-N
    FDA UNII
    Q7URG335CL
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N',N'-dibutyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine;hydrochloride
    2.1.2 InChI
    InChI=1S/C18H28N4O.ClH/c1-3-5-13-22(14-6-4-2)15-12-19-18-20-17(21-23-18)16-10-8-7-9-11-16;/h7-11H,3-6,12-15H2,1-2H3,(H,19,20,21);1H
    2.1.3 InChI Key
    ZCEDBAQIHPGWNW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCN(CCCC)CCNC1=NC(=NO1)C2=CC=CC=C2.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    Q7URG335CL
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Adrevil

    2. Butalamine

    3. La 1221

    4. Surheme

    2.3.2 Depositor-Supplied Synonyms

    1. Butalamine Hcl

    2. 28875-47-0

    3. 56974-46-0

    4. N,n-dibutyl-n'-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylenediamine Hydrochloride

    5. Adrevil

    6. Hemotrope

    7. Surheme

    8. N',n'-dibutyl-n-(3-phenyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine;hydrochloride

    9. Q7urg335cl

    10. N1,n1-dibutyl-n2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine Hydrochloride

    11. La 1221

    12. Einecs 249-279-2

    13. N,n-dibutyl-n'-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2-ethanediamine Hydrochloride

    14. Schembl1568664

    15. Dtxsid70951510

    16. Butalamine Hydrochloride [mi]

    17. La-1221

    18. Butalamine Hydrochloride [mart.]

    19. Butalamine Hydrochloride [who-dd]

    20. Q27287094

    21. 5-((2-(dibutylamino)ethyl)amino)-3-phenyl-1,2,4-oxadiazole Hydrochloride

    22. N-butyl-n-{2-[(3-phenyl-1,2,4-oxadiazol-5(2h)-ylidene)amino]ethyl}butan-1-amine--hydrogen Chloride (1/1)

    2.4 Create Date
    2006-12-27
    3 Chemical and Physical Properties
    Molecular Weight 352.9 g/mol
    Molecular Formula C18H29ClN4O
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count11
    Exact Mass352.2029893 g/mol
    Monoisotopic Mass352.2029893 g/mol
    Topological Polar Surface Area54.2 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity289
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Vasodilator Agents

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