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    Cerocral

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Dilvax, Ifenprodil tartrate, Ifenprodil l-(+)-tartrate, 66157-43-5, Cerocral, Validex
    Molecular Formula
    C46H58N2O10-2
    Molecular Weight
    799.0  g/mol
    InChI Key
    DMPRDSPPYMZQBT-CEAXSRTFSA-L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol;(2R,3R)-2,3-dihydroxybutanedioate
    2.1.2 InChI
    InChI=1S/2C21H27NO2.C4H6O6/c2*1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17;5-1(3(7)8)2(6)4(9)10/h2*2-10,16,18,21,23-24H,11-15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/p-2/t;;1-,2-/m..1/s1
    2.1.3 InChI Key
    DMPRDSPPYMZQBT-CEAXSRTFSA-L
    2.1.4 Canonical SMILES
    CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3.CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3.C(C(C(=O)[O-])O)(C(=O)[O-])O
    2.1.5 Isomeric SMILES
    CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3.CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3.[C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-2-methyl-1-ethanol

    2. 4-benzyl-alpha-(p-hydroxyphenyl)-beta-methyl-1-piperidineethanol

    3. 61 91 Rc

    4. Alpha-(4-hydroxyphenyl)-beta-methyl-4-(phenylmethyl)-1-piperidine Ethanol

    5. Ifenprodil

    6. Ifenprodil Hydrochloride

    7. Ifenprodil Hydrochloride, (+-)-isomer

    8. Ifenprodil Tartrate

    9. Ifenprodil Tartrate (1:1), (r*,s*)-(+-)-(r-(r*,r*))-isomer

    10. Ifenprodil Tartrate (1:1), (r-(r*,r*))-isomer

    11. Ifenprodil Tartrate (2:1), (r-(r*,r*))-isomer

    12. Ifenprodil, (r*,s*)-(+-)-isomer

    13. Ifenprodil, Tartrate(r-(r*,r*))-isomer

    2.2.2 Depositor-Supplied Synonyms

    1. Dilvax

    2. Ifenprodil Tartrate

    3. Ifenprodil L-(+)-tartrate

    4. 66157-43-5

    5. Cerocral

    6. Validex

    7. 4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol;(2r,3r)-2,3-dihydroxybutanedioate

    8. Ifenprodil Tartrate (2:1)

    9. Ifenprodil L-(+)-tartrate (2:1)

    10. 2-(4-benzyl-piperidino)-1-(4-hydroxyphenyl)-1-propanol Tartrate (2:1)

    11. 4-benzyl-alpha-(p-hydroxyphenyl)-beta-methyl-1-piperidineethanol Tartrate

    12. 4-benzyl-alpha-(p-hydroxyphenyl)-beta-methyl-1-piperidine-ethanol-(l)-(+)-tartrate

    13. Piperidineethanol, Alpha-(4-hydroxyphenyl)-beta-methyl-4-(phenylmethyl)-, Tartrate (2:1)

    14. 1-piperidineethanol, 4-benzyl-alpha-(p-hydroxyphenyl)-beta-methyl-, Tartrate (salt) (2:1)

    2.3 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 799.0 g/mol
    Molecular Formula C46H58N2O10-2
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count11
    Exact Mass798.40914605 g/mol
    Monoisotopic Mass798.40914605 g/mol
    Topological Polar Surface Area208 Ų
    Heavy Atom Count58
    Formal Charge-2
    Complexity476
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count4
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Excitatory Amino Acid Antagonists

    Drugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists. (See all compounds classified as Excitatory Amino Acid Antagonists.)

    Adrenergic alpha-Antagonists

    Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma. (See all compounds classified as Adrenergic alpha-Antagonists.)

    Vasodilator Agents

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