loader
Please Wait
Applying Filters...

Evonik Evonik

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about CAS 111974-74-4, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS 111974-74-4

    Manufacturers/Suppliers

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    Temad- We think of world-class quality.

    2D Structure
    1. Also known as: 111974-74-4, 11-piperazinodibenzo[b,f][1,4]thiazepine dihydrochloride, Norquetiapine dihydrochloride, 11-piperazynil-dibenzo[b,f][1,4]thiazepine 2hcl, 11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine dihydrochloride, 11-piperazin-1-yl-dibenzo[b,f][1,4]thiazepine dihydrochloride
    Molecular Formula
    C17H19Cl2N3S
    Molecular Weight
    368.3  g/mol
    InChI Key
    PZQCQHZDUIIKFU-UHFFFAOYSA-N
    FDA UNII
    7VJ4TC63IL
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-piperazin-1-ylbenzo[b][1,4]benzothiazepine;dihydrochloride
    2.1.2 InChI
    InChI=1S/C17H17N3S.2ClH/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15;;/h1-8,18H,9-12H2;2*1H
    2.1.3 InChI Key
    PZQCQHZDUIIKFU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1)C2=NC3=CC=CC=C3SC4=CC=CC=C42.Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    7VJ4TC63IL
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 111974-74-4

    2. 11-piperazinodibenzo[b,f][1,4]thiazepine Dihydrochloride

    3. Norquetiapine Dihydrochloride

    4. 11-piperazynil-dibenzo[b,f][1,4]thiazepine 2hcl

    5. 11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine Dihydrochloride

    6. 11-piperazin-1-yl-dibenzo[b,f][1,4]thiazepine Dihydrochloride

    7. 7vj4tc63il

    8. Quetiapine Related Compound B

    9. N-des[2-(2-hydroxyethoxy)ethyl] Quetiapine Dihydrochloride

    10. Mfcd08703302

    11. 11-piperazin-1-yl-dibenzo[b,f][1,4]thiazepine 2hcl

    12. Dibenzo[b,f][1,4]thiazepine, 11-(1-piperazinyl)-, Dihydrochloride

    13. 11-piperazin-1-yldibenzo(b,f)(1,4)thiazepine Dihydrochloride

    14. 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine;dihydrochloride

    15. 11-(1-piperazinyl)dibenzo[b,f][1,4]thiazepine Dihydrochloride

    16. Unii-7vj4tc63il

    17. 11-(1-piperazinyl)-dibenzo(b,f)(1,4)thiazepine Dihydrochloride

    18. Norquetiapine 2hcl

    19. Ec 700-276-9

    20. Schembl8507

    21. Dtxsid60600505

    22. 11-(1-piperazinyl)-dibenzo[b,f][1,4]thiazepinedihydrochloride

    23. Bcp14824

    24. Akos015895322

    25. Ac-1919

    26. Cs-w021295

    27. Ks-5300

    28. Sb30701

    29. 10-(piperazin-1-yl)-2-thia-9- Azatricyclo(9.4.0.0^(3,8))pentadeca- 1(15),3,5,7,9,11,13-heptaene Dihydrochloride

    30. Sy046613

    31. Db-005659

    32. Am20020202

    33. Ft-0600381

    34. Quetiapine Related Compound B [usp-rs]

    35. 974p744

    36. Q-200098

    37. Quetiapine Related Compound B [usp Impurity]

    38. Q27268910

    39. 11-(1-piperazinyl)-dibenzo[b,f][1,4]thiazepine 2hcl

    40. 11-piperazinyldibenzo[b,f][1,4]thiazepine Dihydrochloride

    41. 11-(piperazinyl)-dibenzo[b,f][1,4]thiazepinedihydrochloride

    42. 11-piperazynil-dibenzo [b,f][1,4]thiazepine Dihydrochloride

    43. (e)-11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine Dihydrochloride

    44. 11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine--hydrogen Chloride (1/2)

    2.4 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 368.3 g/mol
    Molecular Formula C17H19Cl2N3S
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass367.0676742 g/mol
    Monoisotopic Mass367.0676742 g/mol
    Topological Polar Surface Area52.9 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity392
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    Post Enquiry
    POST ENQUIRY