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    CAS 202189-76-2

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    CAS 202189-76-2
    Also known as: 202189-76-2, Bilastine its-1, 2-[4-[1-(4,4-dimethyl-5h-oxazol-2-yl)-1-methyl-ethyl]phenyl]ethyl 4-methylbenzenesulfonate, 2-[4-[1-(4,4-dimethyl-5h-oxazol-2-yl)-1-methylethyl]phenyl]ethyl 4-methylbenzenesulfonate, 2-[4-[2-(4,4-dimethyl-5h-1,3-oxazol-2-yl)propan-2-yl]phenyl]ethyl 4-methylbenzenesulfonate, 4-[2-(4,5-dihydro-4,4-dimethyloxazol-2-yl)propan-2
    Molecular Formula
    C23H29NO4S
    Molecular Weight
    415.5  g/mol
    InChI Key
    BGUOPDZOVDIWLE-UHFFFAOYSA-N
    1 2D Structure

    CAS 202189-76-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]phenyl]ethyl 4-methylbenzenesulfonate
    2.1.2 InChI
    InChI=1S/C23H29NO4S/c1-17-6-12-20(13-7-17)29(25,26)28-15-14-18-8-10-19(11-9-18)23(4,5)21-24-22(2,3)16-27-21/h6-13H,14-16H2,1-5H3
    2.1.3 InChI Key
    BGUOPDZOVDIWLE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=C(C=C2)C(C)(C)C3=NC(CO3)(C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 202189-76-2

    2. Bilastine Its-1

    3. 2-[4-[1-(4,4-dimethyl-5h-oxazol-2-yl)-1-methyl-ethyl]phenyl]ethyl 4-methylbenzenesulfonate

    4. 2-[4-[1-(4,4-dimethyl-5h-oxazol-2-yl)-1-methylethyl]phenyl]ethyl 4-methylbenzenesulfonate

    5. 2-[4-[2-(4,4-dimethyl-5h-1,3-oxazol-2-yl)propan-2-yl]phenyl]ethyl 4-methylbenzenesulfonate

    6. 4-[2-(4,5-dihydro-4,4-dimethyloxazol-2-yl)propan-2

    7. Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 1-(4-methylbenzenesulfonate)

    8. 2-(4-(1-(4,4-dimethyl-5h-oxazol-2-yl)-1-methylethyl)phenyl)ethyl 4-methylbenzenesulfonate

    9. Dtxsid601111153

    10. Bcp28170

    11. Mfcd11046409

    12. Zinc22016872

    13. Ds-19752

    14. Cs-0160873

    15. D83844

    16. 4-(2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)propan-2-yl)phenethyl4-methylbenzenesulfonate

    17. 2-[4-[1-(4,4-dimethyl-5h-oxazol-2-yl)-1-methyl- Ethyl] Phenyl]ethyl 4-methylbenzenesulfonate

    2.3 Create Date
    2009-05-28
    3 Chemical and Physical Properties
    Molecular Weight 415.5 g/mol
    Molecular Formula C23H29NO4S
    XLogP34.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count7
    Exact Mass415.18172958 g/mol
    Monoisotopic Mass415.18172958 g/mol
    Topological Polar Surface Area73.3 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity676
    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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        Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic segments. With a strong emphasis on excellence and advanced technologies, Kimia aims to become a globally recognized company in both APIs and FDFs while upholding clean business practices. Kimia's state-of-the-art facilities at Village Bhondsi, Gurugram enable it to produce a wide range of APIs. Kimia also plans to establish its own facilities for lifestyle segments, adhering to international regulatory standards. Kimia aims to provide the best pharmaceutical products and support to consumers and healthcare professionals.
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          LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core...
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            Ocimum Labs was founded in 2018 and started its R&D activities with a cutting-edge facility. The Hyderaba...
            Ocimum Labs was founded in 2018 and started its R&D activities with a cutting-edge facility. The Hyderabad-based firm focuses on process research and development, with a particular emphasis on choosing an API portfolio with a wide range of applications for the global pharma market. It provides a wide variety of integrated products and services. By offering timely and high-quality support, Ocimum Labs hopes to become a strategic partner to global pharma firms and deliver high-quality, cost effective key starting materials, intermediates and APIs. It intends to build a manufacturing facility with a 230KL capacity in Visakhapatnam, India.
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