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    CAS 1190392-22-3

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    CAS 1190392-22-3
    Also known as: 1190392-22-3, (6s)-4-oxo-7,8-dihydro-6h-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid, (6s)-4,6,7,8-tetrahydro-4-oxo-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid, Schembl11964114, Ac3146, Akos037631126
    Molecular Formula
    C8H8N2O3
    Molecular Weight
    180.16  g/mol
    InChI Key
    VBGNTNJINOCQNQ-YFKPBYRVSA-N
    1 2D Structure

    CAS 1190392-22-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6S)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
    2.1.2 InChI
    InChI=1S/C8H8N2O3/c11-7-3-4-9-6-2-1-5(8(12)13)10(6)7/h3-5H,1-2H2,(H,12,13)/t5-/m0/s1
    2.1.3 InChI Key
    VBGNTNJINOCQNQ-YFKPBYRVSA-N
    2.1.4 Canonical SMILES
    C1CC2=NC=CC(=O)N2C1C(=O)O
    2.1.5 Isomeric SMILES
    C1CC2=NC=CC(=O)N2[C@@H]1C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1190392-22-3

    2. (6s)-4-oxo-7,8-dihydro-6h-pyrrolo[1,2-a]pyrimidine-6-carboxylic Acid

    3. (6s)-4,6,7,8-tetrahydro-4-oxo-pyrrolo[1,2-a]pyrimidine-6-carboxylic Acid

    4. Schembl11964114

    5. Ac3146

    6. Akos037631126

    7. Zinc200989902

    8. Cs-0083435

    9. (6s)-4-oxo-4h,6h,7h,8h-pyrrolo[1,2-a]pyrimidine-6-carboxylic Acid

    10. (6s)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic Acid

    2.3 Create Date
    2012-08-19
    3 Chemical and Physical Properties
    Molecular Weight 180.16 g/mol
    Molecular Formula C8H8N2O3
    XLogP3-0.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area70
    Heavy Atom Count13
    Formal Charge0
    Complexity332
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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      JieJie Group Co., Ltd. is a pharmaceutical and chemical enterprise for research and production, it was bu...
      JieJie Group Co., Ltd. is a pharmaceutical and chemical enterprise for research and production, it was built in 2009. Our core business is custom synthesis and contract manufacturing for advanced and bulk APIs, Pharmaceutical intermediates, water-soluble polymers, and special chemicals, from gram to multi tons scale. The company's aim is to be one of the reliable enterprises with the fastest development in the medicine industry in China and to become an impactive medicine enterprise entering the international authority market in the world.
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        Jinan Shangbo Pharmaceutical Co., Ltd is a high-tech enterprise that specializes in the R&D, production, and sales of pharmaceutical intermediates and fine chemicals, which was founded by Jinan Shengquan Group Share-holding Co., Ltd, and Biosynth Limited UK in 2011. Keeping up with the industrial development trend, Shangbo Pharm can provide all-directional services that from laboratory-level molecular design, synthesis, supply to customized synthesis, process development and commercial production of the crucial intermediates.
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        Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzh...
        Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzhen Stock Exchange in 2014. Our R&D, manufacturing & operation facilities are located in China, Slovenia, the US, Belgium, Switzerland, Denmark, with more than 6000 employees worldwide. Porton leads the way with its excellent CDMO services, but also supplies APIs & intermediates for the treatment of critical diseases such as HIV/AIDS, diabetes, cancer, & influenza. Our Process Technology Centers & WHO/USFDA/EMA/PDMA/NMPA-inspected Facilities feature state-of-the-art equipment, highly flexible cGMP-compliant production assets.
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        Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzh...
        Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzhen Stock Exchange in 2014. Our R&D, manufacturing & operation facilities are located in China, Slovenia, the US, Belgium, Switzerland, Denmark, with more than 6000 employees worldwide. Porton leads the way with its excellent CDMO services, but also supplies APIs & intermediates for the treatment of critical diseases such as HIV/AIDS, diabetes, cancer, & influenza. Our Process Technology Centers & WHO/USFDA/EMA/PDMA/NMPA-inspected Facilities feature state-of-the-art equipment, highly flexible cGMP-compliant production assets.
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