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    Rifasutenizol

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    2D Structure
    Also known as: Tnp-2198, Rifasutenizol, 1001314-13-1, Rifasutenizol [inn], Unii-2g83rzk9u6, Chembl5172403
    Molecular Formula
    C48H61N7O13
    Molecular Weight
    944.0  g/mol
    InChI Key
    OZUTUJQHZGJOKZ-AIGATTFSSA-N
    FDA UNII
    2G83RZK9U6
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26,29-nonaene-28,4'-piperidine]-13-yl] acetate
    2.1.2 InChI
    InChI=1S/C48H61N7O13/c1-23-12-11-13-24(2)46(62)50-38-37-36(51-48(52-37)15-17-53(18-16-48)19-20-54-29(7)49-22-32(54)55(63)64)33-34(42(38)60)41(59)28(6)44-35(33)45(61)47(9,68-44)66-21-14-31(65-10)25(3)43(67-30(8)56)27(5)40(58)26(4)39(23)57/h11-14,21-23,25-27,31,39-40,43,57-60H,15-20H2,1-10H3,(H,50,62)/b12-11+,21-14+,24-13-/t23-,25+,26+,27+,31-,39-,40+,43+,47-/m0/s1
    2.1.3 InChI Key
    OZUTUJQHZGJOKZ-AIGATTFSSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    2G83RZK9U6
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Tnp-2198

    2. Rifasutenizol

    3. 1001314-13-1

    4. Rifasutenizol [inn]

    5. Unii-2g83rzk9u6

    6. Chembl5172403

    7. Hy-144300

    8. Cs-0379176

    9. (9s,12e,14s,15r,16s,17r,18r,19r,20s,21s,22e,24z)-16-(acetyloxy)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]spiro[9,4-(epoxypentadeca[1,11,13]trienimino)-2h-furo[2',3':7,8]naphth[1,2-d]imidazole-2,4'-piperidine]-5,10,26(3h,9h)-trione

    10. [(7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26,29-nonaene-28,4'-piperidine]-13-yl] Acetate

    11. Spiro[9,4-(epoxypentadeca[1,11,13]trienimino)-2h-furo[2',3':7,8]naphth[1,2-d]imidazole-2,4'-piperidine]-5,10,26(3h,9h)-trione, 16-(acetyloxy)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]-, (9s,12e,14s,15r,16s,17r,18r,19r,20s,21s,22e,24z)-

    2.4 Create Date
    2019-01-21
    3 Chemical and Physical Properties
    Molecular Weight 944.0 g/mol
    Molecular Formula C48H61N7O13
    XLogP34.6
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count17
    Rotatable Bond Count6
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area273
    Heavy Atom Count68
    Formal Charge0
    Complexity2150
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count3
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1