loader
Please Wait
Applying Filters...

Suanfarma Suanfarma

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about Bacitracin Methylenedisalicylic Acid, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    Bacitracin Methylenedisalicylic Acid

    DOSSIERs // Finished Dosage Forms

    RELATED EXCIPIENT COMPANIES

    EXCIPIENTS BY APPLICATIONS

    MARKET PLACE

    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: 55852-84-1, Md bacitracin, Kemitracin 10, Caswell no. 066d, Fortracin (bacitracin-md), Bacitracin methylenedisalicylic acid
    Molecular Formula
    C81H117N17O23S
    Molecular Weight
    1729.0  g/mol
    InChI Key
    POMORUSPLDFVEK-PHXAWWDYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4R)-5-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2R)-5-amino-1-[[(2S,3S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[2-(1-amino-2-methylbutyl)-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate
    2.1.2 InChI
    InChI=1S/C66H105N17O17S.C15H12O6/c1-9-35(6)52(70)65-81-48(32-101-65)62(96)76-43(26-34(4)5)58(92)74-42(22-23-50(85)86)57(91)83-53(36(7)10-2)63(97)75-40(20-15-16-24-67)55(89)73-41(21-17-25-68)56(90)82-54(37(8)11-3)64(98)79-44(27-38-18-13-12-14-19-38)59(93)77-45(28-39-31-71-33-72-39)60(94)78-46(30-51(87)88)61(95)80-47(66(99)100)29-49(69)84;16-12-7-3-1-5-10(12)14(18)20-9-21-15(19)11-6-2-4-8-13(11)17/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67-68,70H2,1-8H3,(H2,69,84)(H,71,72)(H,73,89)(H,74,92)(H,75,97)(H,76,96)(H,77,93)(H,78,94)(H,79,98)(H,80,95)(H,82,90)(H,83,91)(H,85,86)(H,87,88)(H,99,100);1-8,16-17H,9H2/t35?,36-,37-,40-,41+,42+,43-,44+,45-,46+,47-,48?,52?,53-,54-;/m0./s1
    2.1.3 InChI Key
    POMORUSPLDFVEK-PHXAWWDYSA-N
    2.1.4 Canonical SMILES
    CCC(C)C(C1=NC(CS1)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)NC(CCCN)C(=O)NC(C(C)CC)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CN=CN3)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)O)N.C1=CC=C(C(=C1)C(=O)OCOC(=O)C2=CC=CC=C2O)O
    2.1.5 Isomeric SMILES
    CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C3CSC(=N3)C(C(C)CC)N.C1=CC=C(C(=C1)C(=O)OCOC(=O)C2=CC=CC=C2O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Bacitracin Md

    2. Bacitracin Methylenedisalicylate

    3. Bacitracin Methylenedisalicylic Acid

    2.2.2 Depositor-Supplied Synonyms

    1. 55852-84-1

    2. Md Bacitracin

    3. Kemitracin 10

    4. Caswell No. 066d

    5. Fortracin (bacitracin-md)

    6. Bacitracin Methylenedisalicylic Acid

    7. Bacitracin, Methylenebis(2-hydroxybenzoate)

    8. Bacitracin Methylenedisalicylate

    9. Einecs 259-862-3

    10. Unii-jgv6oj52ft

    11. Methylenebis(2-hydroxybenzoate)bacitracin

    12. Jgv6oj52ft

    13. Bacitracin, Methylenebis(2-hydroxybenzoate) (salt)

    2.3 Create Date
    2007-01-09
    3 Chemical and Physical Properties
    Molecular Weight 1729.0 g/mol
    Molecular Formula C81H117N17O23S
    Hydrogen Bond Donor Count20
    Hydrogen Bond Acceptor Count29
    Rotatable Bond Count54
    Exact Mass1727.82289422 g/mol
    Monoisotopic Mass1727.82289422 g/mol
    Topological Polar Surface Area683 Ų
    Heavy Atom Count122
    Formal Charge0
    Complexity3170
    Isotope Atom Count0
    Defined Atom Stereocenter Count12
    Undefined Atom Stereocenter Count3
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    Post Enquiry
    POST ENQUIRY