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    Tilidine

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    DIGITAL CONTENT

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

    PharmaCompass
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    2D Structure
    Also known as: Tilidine hydrochloride hemihydrate, 255733-17-6, Y757t3419r, Ethyl (1rs,2sr)-2-(dimethylamino)-1-phenylcyclohex-3-enecarboxylate hydrochloride hemihydrate, 3-cyclohexene-1-carboxylic acid, 2-(dimethylamino)-1-phenyl-, ethyl ester, hydrochloride, hydrate (2:2:1), (1r,2s)-rel-, Lucayan
    Molecular Formula
    C34H50Cl2N2O5
    Molecular Weight
    637.7  g/mol
    InChI Key
    WHYVWQHDUOALSV-UMJMSJQKSA-N
    FDA UNII
    Y757T3419R
    An opioid analgesic used similarly to MORPHINE in the control of moderate to severe pain. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1097)
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl (1S,2R)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate;hydrate;dihydrochloride
    2.1.2 InChI
    InChI=1S/2C17H23NO2.2ClH.H2O/c2*1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;;;/h2*5-8,10-12,15H,4,9,13H2,1-3H3;2*1H;1H2/t2*15-,17+;;;/m11.../s1
    2.1.3 InChI Key
    WHYVWQHDUOALSV-UMJMSJQKSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2.CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2.O.Cl.Cl
    2.1.5 Isomeric SMILES
    CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C2=CC=CC=C2.CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C2=CC=CC=C2.O.Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    Y757T3419R
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Go 1261

    2. Go-1261

    3. Go1261

    4. Godecke, Tilidin

    5. Hydrochloride, Tilidine

    6. Tilidate

    7. Tilidin Godecke

    8. Tilidine

    9. Tilidine Hydrochloride

    10. Tilidine Hydrochloride, (+)-trans

    11. Tilidine Hydrochloride, (+-)-211trans

    12. Valerone

    2.3.2 Depositor-Supplied Synonyms

    1. Tilidine Hydrochloride Hemihydrate

    2. 255733-17-6

    3. Y757t3419r

    4. Ethyl (1rs,2sr)-2-(dimethylamino)-1-phenylcyclohex-3-enecarboxylate Hydrochloride Hemihydrate

    5. 3-cyclohexene-1-carboxylic Acid, 2-(dimethylamino)-1-phenyl-, Ethyl Ester, Hydrochloride, Hydrate (2:2:1), (1r,2s)-rel-

    6. Lucayan

    7. Unii-y757t3419r

    8. Go-1261c

    9. Tilidine Hydrochloride Hemihydrate [ep]

    10. Dtxsid70180262

    11. Tilidine Hydrochloride Hemihydrate [mi]

    12. Q27294334

    13. Tilidine Hydrochloride Hemihydrate [ep Monograph]

    2.4 Create Date
    2012-12-01
    3 Chemical and Physical Properties
    Molecular Weight 637.7 g/mol
    Molecular Formula C34H50Cl2N2O5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count10
    Exact Mass636.3096781 g/mol
    Monoisotopic Mass636.3096781 g/mol
    Topological Polar Surface Area60.1 Ų
    Heavy Atom Count43
    Formal Charge0
    Complexity358
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count5
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Analgesics, Opioid

    Compounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS. (See all compounds classified as Analgesics, Opioid.)

    Narcotics

    Agents that induce NARCOSIS. Narcotics include agents that cause somnolence or induced sleep (STUPOR); natural or synthetic derivatives of OPIUM or MORPHINE or any substance that has such effects. They are potent inducers of ANALGESIA and OPIOID-RELATED DISORDERS. (See all compounds classified as Narcotics.)