loader
Please Wait
Applying Filters...

SPI Pharma Corp Ad SPI Pharma Corp Ad

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about Iliren, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    Iliren

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Temad- We think of world-class quality.

    IKF/Pharmasynthese have been with fine chemicals market and APIs performance for more than 40 years.

    2D Structure
    1. Also known as: Tiaprost, 71116-82-0, (e)-7-[3,5-dihydroxy-2-[(e)-3-hydroxy-4-thiophen-3-yloxybut-1-enyl]cyclopentyl]hept-5-enoic acid, 5-heptenoic acid,7-[3,5-dihydroxy-2-[3-hydroxy-4-(3-thienyloxy)-1-butenyl]cyclopentyl]-, 7-[3,5-dihydroxy-2-[3-hydroxy-4-(3-thienyloxy)-1-butenyl]cyclopentyl]-5-heptenoic acid, Schembl12495592
    Molecular Formula
    C20H28O6S
    Molecular Weight
    396.5  g/mol
    InChI Key
    FYBFDIIAPRHIQS-SYJKBYRUSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E)-7-[3,5-dihydroxy-2-[(E)-3-hydroxy-4-thiophen-3-yloxybut-1-enyl]cyclopentyl]hept-5-enoic acid
    2.1.2 InChI
    InChI=1S/C20H28O6S/c21-14(12-26-15-9-10-27-13-15)7-8-17-16(18(22)11-19(17)23)5-3-1-2-4-6-20(24)25/h1,3,7-10,13-14,16-19,21-23H,2,4-6,11-12H2,(H,24,25)/b3-1+,8-7+
    2.1.3 InChI Key
    FYBFDIIAPRHIQS-SYJKBYRUSA-N
    2.1.4 Canonical SMILES
    C1C(C(C(C1O)C=CC(COC2=CSC=C2)O)CC=CCCCC(=O)O)O
    2.1.5 Isomeric SMILES
    C1C(C(C(C1O)/C=C/C(COC2=CSC=C2)O)C/C=C/CCCC(=O)O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Tiaprost

    2. Tiaprost, (1r-(1alpha(z),2beta(1e,3r*),3alpha,5alpha))-isomer

    3. Tiaprost, (1r-(1alpha(z),2beta(1e,3s*),3alpha,5alpha))-isomer

    2.2.2 Depositor-Supplied Synonyms

    1. Tiaprost

    2. 71116-82-0

    3. (e)-7-[3,5-dihydroxy-2-[(e)-3-hydroxy-4-thiophen-3-yloxybut-1-enyl]cyclopentyl]hept-5-enoic Acid

    4. 5-heptenoic Acid,7-[3,5-dihydroxy-2-[3-hydroxy-4-(3-thienyloxy)-1-butenyl]cyclopentyl]-

    5. 7-[3,5-dihydroxy-2-[3-hydroxy-4-(3-thienyloxy)-1-butenyl]cyclopentyl]-5-heptenoic Acid

    6. Schembl12495592

    7. Schembl12495595

    8. Dtxsid901021711

    9. Bcp30311

    10. Akos015896642

    11. Hy-111478

    12. Cs-0041593

    13. A850966

    2.3 Create Date
    2006-04-28
    3 Chemical and Physical Properties
    Molecular Weight 396.5 g/mol
    Molecular Formula C20H28O6S
    XLogP31.7
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count11
    Exact Mass396.16065978 g/mol
    Monoisotopic Mass396.16065978 g/mol
    Topological Polar Surface Area136 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity509
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count5
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY