loader
Please Wait
Applying Filters...

Suanfarma Suanfarma

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

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

    Client Email Product
    Menu

    Rencofilstat

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: Crv431, Cpi-431, Crv-431, Cpi-431-32, Rencofilstat [usan], M3h4d91ay5
    Molecular Formula
    C67H122N12O13
    Molecular Weight
    1303.8  g/mol
    InChI Key
    KBARHGHBFILILC-NGIJKBHDSA-N
    FDA UNII
    M3H4D91AY5
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(7R,8R)-8-[(2S,5S,8R,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-8-hydroxy-7-methyloctyl]acetamide
    2.1.2 InChI
    InChI=1S/C67H122N12O13/c1-26-48-63(88)73(19)46(17)62(87)74(20)50(34-38(4)5)59(84)72-53(41(10)11)66(91)75(21)49(33-37(2)3)58(83)69-44(15)57(82)70-45(16)61(86)76(22)51(35-39(6)7)64(89)77(23)52(36-40(8)9)65(90)78(24)54(42(12)13)67(92)79(25)55(60(85)71-48)56(81)43(14)31-29-27-28-30-32-68-47(18)80/h37-46,48-56,81H,26-36H2,1-25H3,(H,68,80)(H,69,83)(H,70,82)(H,71,85)(H,72,84)/t43-,44+,45-,46-,48+,49+,50+,51+,52+,53+,54+,55+,56-/m1/s1
    2.1.3 InChI Key
    KBARHGHBFILILC-NGIJKBHDSA-N
    2.1.4 Canonical SMILES
    CCC1C(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CCCCCCNC(=O)C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C
    2.1.5 Isomeric SMILES
    CC[C@H]1C(=O)N([C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)CCCCCCNC(=O)C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C
    2.2 Other Identifiers
    2.2.1 UNII
    M3H4D91AY5
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Crv-431

    2. Crv431

    3. N-((7r,8r)-8-((2s,5s,8r,11s,14s,17s,20s,23r,26s,29s,32s)-5-ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,8,10,16,20,23,25,28,31-decamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl)-8-h

    2.3.2 Depositor-Supplied Synonyms

    1. Crv431

    2. Cpi-431

    3. Crv-431

    4. Cpi-431-32

    5. Rencofilstat [usan]

    6. M3h4d91ay5

    7. 1383420-08-3

    8. Rencofilstat [inn]

    9. Unii-m3h4d91ay5

    10. Cpi431

    11. Chembl4297487

    12. Gtpl11612

    13. Who 11781

    14. 6-((2s,3r,4r)-10-acetamido-3-hydroxy-4-methyl-2-(methylamino)decanoic Acid)-8-(n-methyl-dalanine)cyclosporin A; 1,11-anhydro(l-alanyl-d-alanyl-n-methyl-l-leucyl-n-methyl-l-leucyl-n-methyl-l-valyl-(3r,4r)-10-acetamido-3-hydroxyn,4-dimethyl-l-2-aminodecanoyl-l-2-aminobutanoyl-nmethyl-d-alanyl-n-methyl-l-leucyl-l-valyl-n-methyl-l-leucine)

    15. Cyclosporin A, 6-((2s,3r,4r)-10-(acetylamino)-3-hydroxy-4-methyl-2-(methylamino)decanoic Acid)-8-(n-methyl-d-alanine)-

    16. N-((7r,8r)-8-((2s,5s,8r,11s,14s,17s,20s,23r,26s,29s,32s)-5-ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,8,10,16,20,23,25,28,31-decamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl)-8-h

    17. N-((7r,8r)-8-((2s,5s,8r,11s,14s,17s,20s,23r,26s,29s,32s)-5-ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,8,10,16,20,23,25,28,31-decamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl)-8-hydroxy-7-methyloctyl)acetamide

    18. N-[(7r,8r)-8-[(2s,5s,8r,11s,14s,17s,20s,23r,26s,29s,32s)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl]-8-hydroxy-7-methyloctyl]acetamide

    19. N-[(7r,8r)-8-[(2s,5s,8r,11s,14s,17s,20s,23r,26s,29s,32s)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-8-hydroxy-7-methyloctyl]acetamide

    2.4 Create Date
    2018-09-09
    3 Chemical and Physical Properties
    Molecular Weight 1303.8 g/mol
    Molecular Formula C67H122N12O13
    XLogP38.1
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count20
    Exact Mass1302.92543199 g/mol
    Monoisotopic Mass1302.92543199 g/mol
    Topological Polar Surface Area308 Ų
    Heavy Atom Count92
    Formal Charge0
    Complexity2490
    Isotope Atom Count0
    Defined Atom Stereocenter Count13
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY