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    CAS 3967-32-6

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    CAS 3967-32-6
    Also known as: 3967-32-6, 5-(1-methyl-4-piperidyl)5h-dibenzo, 5-(1-methyl-4-piperidinyl)-5h-dibenzo[a,d]cyclohepten-5-ol, 2-(1-methylpiperidin-4-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol, 5h-dibenzo[a,d]cyclohepten-5-ol, 5-(1-methyl-4-piperidinyl)-, 5h-dibenzo(a,d)cyclohepten-5-ol, 5-(1-methyl-4-piperidinyl)-
    Molecular Formula
    C21H23NO
    Molecular Weight
    305.4  g/mol
    InChI Key
    NPSCPXDYXVEYQW-UHFFFAOYSA-N
    FDA UNII
    FW58SL2OZQ
    1 2D Structure

    CAS 3967-32-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(1-methylpiperidin-4-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
    2.1.2 InChI
    InChI=1S/C21H23NO/c1-22-14-12-18(13-15-22)21(23)19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11,18,23H,12-15H2,1H3
    2.1.3 InChI Key
    NPSCPXDYXVEYQW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1CCC(CC1)C2(C3=CC=CC=C3C=CC4=CC=CC=C42)O
    2.2 Other Identifiers
    2.2.1 UNII
    FW58SL2OZQ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 3967-32-6

    2. 5-(1-methyl-4-piperidyl)5h-dibenzo

    3. 5-(1-methyl-4-piperidinyl)-5h-dibenzo[a,d]cyclohepten-5-ol

    4. 2-(1-methylpiperidin-4-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol

    5. 5h-dibenzo[a,d]cyclohepten-5-ol, 5-(1-methyl-4-piperidinyl)-

    6. 5h-dibenzo(a,d)cyclohepten-5-ol, 5-(1-methyl-4-piperidinyl)-

    7. Fw58sl2ozq

    8. Dtxsid20863311

    9. Zinc33985905

    10. Cyproheptadine Related Compound C

    11. Ft-0778032

    12. Cyproheptadine Related Compound C [usp-rs]

    13. Cyproheptadine Related Compound C [usp Impurity]

    14. 5-(1-methyl-piperidin-4-yl)-5h-dibenzo(a,d)cyclohepten-5-ol

    2.4 Create Date
    2006-04-29
    3 Chemical and Physical Properties
    Molecular Weight 305.4 g/mol
    Molecular Formula C21H23NO
    XLogP33.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass305.177964357 g/mol
    Monoisotopic Mass305.177964357 g/mol
    Topological Polar Surface Area23.5 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity411
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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