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    Technical details about Tox21_202806, learn more about the structure, uses, toxicity, action, side effects and more

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    Tox21_202806

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    DOSSIERs // Finished Dosage Forms

    MARKET PLACE

    PATENTS

    ANALYTICAL SOLUTION(s)

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: Rifamycin sv sodium, Rifamycin sv sodium salt, Rifamastene, 14897-39-3, Rifamycin sodium [usan], Rifamycin sv monosodium salt
    Molecular Formula
    C37H46NNaO12
    Molecular Weight
    719.7  g/mol
    InChI Key
    YVOFSHPIJOYKSH-NLYBMVFSSA-M
    FDA UNII
    32086GS35Z
    Rifamycin Sodium is a sodium salt of rifamycin, an antibiotic produced by Streptomyces mediterranei which is used to treat mycobacterium infections.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-13-acetyloxy-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-27-olate
    2.1.2 InChI
    InChI=1S/C37H47NO12.Na/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41;/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46);/q;+1/p-1/b11-10+,14-13+,17-12-;/t16-,18+,19+,20+,25-,29-,30+,33+,37-;/m0./s1
    2.1.3 InChI Key
    YVOFSHPIJOYKSH-NLYBMVFSSA-M
    2.1.4 Canonical SMILES
    CC1C=CC=C(C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)[O-])C.[Na+]
    2.1.5 Isomeric SMILES
    C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)[O-])/C.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    32086GS35Z
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2-h)-dione, 21-acetate

    2. Aemcolo

    3. Otafa

    4. R-75-1

    5. Rifacin

    6. Rifamicina Colirio

    7. Rifamycin Sv

    8. Rifamycin Sv, Monosodium Salt

    9. Rifamycin Sv, Sodium Salt

    10. Rifamycine Chibret

    11. Rifocina

    12. Rifocyna

    2.3.2 Depositor-Supplied Synonyms

    1. Rifamycin Sv Sodium

    2. Rifamycin Sv Sodium Salt

    3. Rifamastene

    4. 14897-39-3

    5. Rifamycin Sodium [usan]

    6. Rifamycin Sv Monosodium Salt

    7. Aemcolo

    8. Monosodium Rifamycin Sv

    9. 32086gs35z

    10. Rifamycin, Monosodium Salt

    11. Dsstox_cid_20208

    12. Dsstox_rid_79452

    13. Dsstox_gsid_40208

    14. Sodium;(7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-13-acetyloxy-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-27-olate

    15. Sodium Rifomycin Sv

    16. Cas-14897-39-3

    17. Cb-0111

    18. Nsc 133100

    19. Rifamycinsodium

    20. Rifamyzin-natrium

    21. Rifamycinum Natricum

    22. Rifamycin, Sodium Salt

    23. Mfcd09752825

    24. Cb-01-11, Rifamycin Sv

    25. Dtxsid0040208

    26. Unii-32086gs35z

    27. Rifamycin Sodium [mart.]

    28. Rifamycin Sodium [who-dd]

    29. Einecs 238-965-7

    30. Tox21_112064

    31. Tox21_202806

    32. Rifamycin Sodium [ep Impurity]

    33. Rifamycin Sodium [orange Book]

    34. Rifamycin Sv Sodium Salt [mi]

    35. Rifamycin Sodium [ep Monograph]

    36. Ncgc00260352-01

    37. 2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2h)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate, Monosodium Salt

    38. 2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2h)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate, Sodium

    39. J-008536

    40. Q27256110

    41. Rifamycin Sv Sodium Salt, Potency: >=900 Units (dry Basis)

    42. 2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2h)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate, Sodium Salt

    43. Sodium (2s,12z,14e,16s,17s,18r,19r,20r,21s,22r,23s,24e)-21-(acetyloxy)- 6,9,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2- Dihydro-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-5-olate

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 719.7 g/mol
    Molecular Formula C37H46NNaO12
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count3
    Exact Mass719.29177018 g/mol
    Monoisotopic Mass719.29177018 g/mol
    Topological Polar Surface Area204 Ų
    Heavy Atom Count51
    Formal Charge0
    Complexity1340
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count3
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antirheumatic Agents

    Drugs that are used to treat RHEUMATOID ARTHRITIS. (See all compounds classified as Antirheumatic Agents.)

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