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    Also known as: 110351-94-5, (4s)-4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano[3,4-f]indolizine-3,6,10-trione, (4s)-4-ethyl-7,8-dihydro-4-hydroxy-1h-pyrano[3,4-f]indolizine-3,6,10(4h)-trione, (4s)-4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano[3,4-f]indolizine-3,6,10(4h)-trione, Mfcd09833229, Yz4s6c3gb5
    Molecular Formula
    C13H13NO5
    Molecular Weight
    263.25  g/mol
    InChI Key
    IGKWOGMVAOYVSJ-ZDUSSCGKSA-N
    FDA UNII
    YZ4S6C3GB5
    1 2D Structure

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    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10-trione
    2.1.2 InChI
    InChI=1S/C13H13NO5/c1-2-13(18)8-5-9-10(15)3-4-14(9)11(16)7(8)6-19-12(13)17/h5,18H,2-4,6H2,1H3/t13-/m0/s1
    2.1.3 InChI Key
    IGKWOGMVAOYVSJ-ZDUSSCGKSA-N
    2.1.4 Canonical SMILES
    CCC1(C2=C(COC1=O)C(=O)N3CCC(=O)C3=C2)O
    2.1.5 Isomeric SMILES
    CC[C@@]1(C2=C(COC1=O)C(=O)N3CCC(=O)C3=C2)O
    2.2 Other Identifiers
    2.2.1 UNII
    YZ4S6C3GB5
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 110351-94-5

    2. (4s)-4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano[3,4-f]indolizine-3,6,10-trione

    3. (4s)-4-ethyl-7,8-dihydro-4-hydroxy-1h-pyrano[3,4-f]indolizine-3,6,10(4h)-trione

    4. (4s)-4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano[3,4-f]indolizine-3,6,10(4h)-trione

    5. Mfcd09833229

    6. Yz4s6c3gb5

    7. Schembl614060

    8. Dtxsid30436954

    9. Cs-b1681

    10. Ex-a4321

    11. Akos005145923

    12. 1h-pyrano[3,4-f]indolizine-3,6,10(4h)-trione, 4-ethyl-7,8-dihydro-4-hydroxy-, (4s)-

    13. S10949

    14. Ds-14808

    15. (4s)-4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano[3,4-f]indolizine-3,6,10(4h)trione

    16. (s)-4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano-[3,4-f]indolizine-3,6,10(4h)-trione

    17. (s)-4-ethyl-7,8-dihydro-4-hydroxy-1h-pyrano-[3,4-f]indolizine-3,6,10(4h)-trione

    18. 1h-pyrano[3,4-f]indolizine-3,6,10(4h)-trione,4-ethyl-7,8-dihydro-4-hydroxy-,(4s)-

    19. 4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano[3,4-f]indolizine-3,6,10(4h)-trione, (s)-

    20. (4s)-4-ethyl-4-hydroxy-1h,3h,4h,6h,7h,8h,10h-pyrano[3,4-f]indolizine-3,6,10-trione

    21. (4s)-4alpha-ethyl-7,8-dihydro-4beta-hydroxy-1h-pyrano[3,4-f]indolizine-3,6,10(4h)-trione

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 263.25 g/mol
    Molecular Formula C13H13NO5
    XLogP3-0.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area83.9
    Heavy Atom Count19
    Formal Charge0
    Complexity574
    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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    (S)-8-Ethyl-8-hydroxy-2,3,5,8-tetra...
    Avra Laboratories, part of Cohance Lifesciences, is one of the first companies in India to provide high-e...
    Avra Laboratories, part of Cohance Lifesciences, is one of the first companies in India to provide high-end contract research and manufacturing of advanced intermediates and APIs, with expertise in oncology ADC payloads and other therapeutic areas. Avra Lab is the pioneer in the synthetic camptothecin chemistry, offering its APIs, ADC payloads and intermediates. Avra Lab is renowned for its custom synthesis services, particularly in the synthesis of complex chemicals for pharmaceutical applications. It excels in low-volume, high-value small molecule synthesis. Avra lab is also a leader in carbonylation and palladium cross-coupling chemistry.
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      Hangzhou Hairui Chemical Co., Ltd. is located in the Zhongheng Century Science and Technology Park in Hangzhou, Zhejiang. It is an excellent manufacturer of organic compounds with a wide range of products, mainly including fluorine-containing compounds, boric acid series, amino acid series, non-natural amino acid series, peptide series, and Coupling agent series, organic catalyst series, chiral compound series, heterocyclic compound series and other pharmaceutical intermediates. The company has passed ISO 9001:2015 quality system certification, rigorous internal management, excellent product quality, and a vast market.
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        Hangzhou Hairui Chemical Co., Ltd. is located in the Zhongheng Century Science and Technology Park in Hangzhou, Zhejiang. It is an excellent manufacturer of organic compounds with a wide range of products, mainly including fluorine-containing compounds, boric acid series, amino acid series, non-natural amino acid series, peptide series, and Coupling agent series, organic catalyst series, chiral compound series, heterocyclic compound series and other pharmaceutical intermediates. The company has passed ISO 9001:2015 quality system certification, rigorous internal management, excellent product quality, and a vast market.
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            Established in 2011 and situated in Hangzhou, Zhejiang, China, Hangzhou Longshine Bio-Tech CO., Ltd is de...
            Established in 2011 and situated in Hangzhou, Zhejiang, China, Hangzhou Longshine Bio-Tech CO., Ltd is dedicated to providing services for pharmaceutical and chemical products, catering to both export and import markets. The company consists of two primary business departments: the Professional Sourcing/Product Team and the Quality Team. Backed by experienced partners, Longshine has evolved into a trustworthy supplier of high-quality products and received ISO9001:2008 certification in 2017.
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              Founded in 2006, Harvechem adheres to the philosophy of ”Think for Customer” all along, devotes to providing global customers with professional and seamless service in the field of drug development, contract manufacturing, and specialty chemicals. Harvechem built an integrative platform including R&D, production, quality control, document support, and logistics to establish a cooperative relationship with many partners that we can support and depend on each other by using resources effectively and reasonably.
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                Founded in 2006, Harvechem adheres to the philosophy of ”Think for Customer” all along, devotes to providing global customers with professional and seamless service in the field of drug development, contract manufacturing, and specialty chemicals. Harvechem built an integrative platform including R&D, production, quality control, document support, and logistics to establish a cooperative relationship with many partners that we can support and depend on each other by using resources effectively and reasonably.
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                  Hefei Hirisun Pharmatech Co., Ltd located in Hefei China, is a leading and developing Biotech enterprise, specialize in providing fine chemical, novel biochemical reagents and pharmaceutical intermediates. We always think globally and provide our products and services for pharmaceutical manufacturing enterprise, research as well as academic institutions at home and aboard. The company is launched by many well educated with professional experience in the field of biochemical, and build well cooperation relationship with many international enterprises. With the hope of advancing technology progress and improve the quality of human life.
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                    Hefei Hirisun Pharmatech Co., Ltd located in Hefei China, is a leading and developing Biotech enterprise,...
                    Hefei Hirisun Pharmatech Co., Ltd located in Hefei China, is a leading and developing Biotech enterprise, specialize in providing fine chemical, novel biochemical reagents and pharmaceutical intermediates. We always think globally and provide our products and services for pharmaceutical manufacturing enterprise, research as well as academic institutions at home and aboard. The company is launched by many well educated with professional experience in the field of biochemical, and build well cooperation relationship with many international enterprises. With the hope of advancing technology progress and improve the quality of human life.
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                      Gruechem, established in 2011, is dedicated to the custom synthesis, and custom-manufacturing of building blocks, core skeletons, and molecular frameworks, which are mainly applied in the R&D of new drugs. We have obtained a leading technology platform and possess good analysis methods, which enables us to provide products, from grams scale, pilot, to commercial manufacturing. Gruechem’s products include sophisticated pharm intermediates, core molecular skeleton, characteristic building blocks, specialty chemicals, original brand reagents, etc.
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                        Gruechem, established in 2011, is dedicated to the custom synthesis, and custom-manufacturing of building...
                        Gruechem, established in 2011, is dedicated to the custom synthesis, and custom-manufacturing of building blocks, core skeletons, and molecular frameworks, which are mainly applied in the R&D of new drugs. We have obtained a leading technology platform and possess good analysis methods, which enables us to provide products, from grams scale, pilot, to commercial manufacturing. Gruechem’s products include sophisticated pharm intermediates, core molecular skeleton, characteristic building blocks, specialty chemicals, original brand reagents, etc.
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