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    Tyrothricin

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: Bactratycin, Dermotricine, Hydrotricine, Coltirot, Martricin, Ginotricina
    Molecular Formula
    C65H85N11O13
    Molecular Weight
    1228.4  g/mol
    InChI Key
    NLJVXZFCYKWXLH-DXTIXLATSA-N
    A polypeptide antibiotic mixture obtained from Bacillus brevis. It consists of a mixture of three tyrocidines (60%) and several gramicidins (20%) and is very toxic to blood, liver, kidneys, meninges, and the olfactory apparatus. It is used topically.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[(3R,6S,9S,12S,15S,17S,20S,22R,25S,28S)-20-(2-amino-2-oxoethyl)-9-(3-aminopropyl)-3,22,25-tribenzyl-15-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)-2,5,8,11,14,18,21,24,27-nonaoxo-12-propan-2-yl-1,4,7,10,13,16,19,23,26-nonazabicyclo[26.3.0]hentriacontan-17-yl]propanoic acid
    2.1.2 InChI
    InChI=1S/C65H85N11O13/c1-38(2)32-49-60(84)74-52(36-42-20-12-7-13-21-42)65(89)76-31-15-23-53(76)63(87)73-51(34-41-18-10-6-11-19-41)61(85)70-47(33-40-16-8-5-9-17-40)57(81)48(37-54(67)78)71-59(83)46(28-29-55(79)80)68-50(35-43-24-26-44(77)27-25-43)62(86)75-56(39(3)4)64(88)69-45(22-14-30-66)58(82)72-49/h5-13,16-21,24-27,38-39,45-53,56,68,77H,14-15,22-23,28-37,66H2,1-4H3,(H2,67,78)(H,69,88)(H,70,85)(H,71,83)(H,72,82)(H,73,87)(H,74,84)(H,75,86)(H,79,80)/t45-,46-,47+,48-,49-,50-,51-,52+,53-,56-/m0/s1
    2.1.3 InChI Key
    NLJVXZFCYKWXLH-DXTIXLATSA-N
    2.1.4 Canonical SMILES
    CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)C(NC(=O)C(NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN)C(C)C)CC3=CC=C(C=C3)O)CCC(=O)O)CC(=O)N)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6
    2.1.5 Isomeric SMILES
    CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)[C@@H](NC(=O)[C@@H](N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN)C(C)C)CC3=CC=C(C=C3)O)CCC(=O)O)CC(=O)N)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Codtricine

    2. Dermotricine

    3. Hydrotricine

    4. Martricin

    5. Tyroderm

    6. Tyrosur

    2.2.2 Depositor-Supplied Synonyms

    1. Bactratycin

    2. Dermotricine

    3. Hydrotricine

    4. Coltirot

    5. Martricin

    6. Ginotricina

    7. Pharothricetten

    8. Rinotricina

    9. Solutricine

    10. Tirotricina

    11. Tyrothricine

    12. Tyrothricinum

    13. Biothricin

    14. Triciderm

    15. Tyroderm

    16. Tyrosur

    17. Tyrozets

    18. Tyrex

    19. Dubos Crude Crystals

    20. Intraderm Tyrothricin

    21. Caswell No. 900a

    22. Tyri 10

    23. Tirotricina [inn-spanish]

    24. Tyrothricine [inn-french]

    25. Tyrothricinum [inn-latin]

    26. Einecs 215-771-0

    27. Epa Pesticide Chemical Code 006311

    28. Gramicidin A & Tyrocidine A

    29. Tyrothricin [usp:inn:ban]

    30. Unii-877376v2xw

    31. Chembl577736

    32. Schembl23370285

    33. 877376v2xw

    34. Nsc 757363

    35. An Antibacterial Substance Produced By The Growth Of Bacillus Brevis Dubos (fam. Bacteriaceae)

    36. 3-[(3r,6s,9s,12s,15s,17s,20s,22r,25s,28s)-20-(2-amino-2-oxo-ethyl)-9-(3-aminopropyl)-3,22,25-tribenzyl-15-[(4-hydroxyphenyl)methyl]-6-isobutyl-12-isopropyl-2,5,8,11,14,18,21,24,27-nonaoxo-1,4,7,10,13,16,19,23,26-nonazabicyclo[26.3.0]hentriacontan-17-yl]propanoic Acid

    37. Cyclic (-val-orn-leu-d-phe-pro-phe-d-phe-asn-glu-tyr-) Tyrocidine A & (hco-val-gly-ala-d-leu-ala-d-val-val-d-val-trp-d-leu-trp-d-leu-trp-d-leu-trp-nhch2ch2oh, Ile-gly-ala-d-leu-ala-d-val-val-d-val-trp-d-leu-trp-d-leu-trp-d-leu-trp-nhch2ch2oh) Gramicidin A

    2.3 Create Date
    2005-08-01
    3 Chemical and Physical Properties
    Molecular Weight 1228.4 g/mol
    Molecular Formula C65H85N11O13
    XLogP31.9
    Hydrogen Bond Donor Count12
    Hydrogen Bond Acceptor Count15
    Rotatable Bond Count19
    Exact Mass1227.63283181 g/mol
    Monoisotopic Mass1227.63283181 g/mol
    Topological Polar Surface Area380 Ų
    Heavy Atom Count89
    Formal Charge0
    Complexity2390
    Isotope Atom Count0
    Defined Atom Stereocenter Count10
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Infective Agents, Local

    Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects. (See all compounds classified as Anti-Infective Agents, Local.)

    Anti-Bacterial Agents

    Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)