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    Rhodamine 123

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 62669-70-9, 3,6-diamino-9-(2-(methoxycarbonyl)phenyl)xanthylium chloride, 3,6-diamino-9-[2-(methoxycarbonyl)phenyl]xanthylium chloride, Rh 123, Chebi:8828, Rh-123
    Molecular Formula
    C21H17ClN2O3
    Molecular Weight
    380.8  g/mol
    InChI Key
    MYFATKRONKHHQL-UHFFFAOYSA-N
    A fluorescent probe with low toxicity which is a potent substrate for ATP BINDING CASSETTE TRANSPORTER, SUBFAMILY B, MEMBER 1 and the bacterial multidrug efflux transporter. It is used to assess mitochondrial bioenergetics in living cells and to measure the efflux activity of ATP BINDING CASSETTE TRANSPORTER, SUBFAMILY B, MEMBER 1 in both normal and malignant cells. (Leukemia 1997;11(7):1124-30)
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [6-amino-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium;chloride
    2.1.2 InChI
    InChI=1S/C21H16N2O3.ClH/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20;/h2-11,22H,23H2,1H3;1H
    2.1.3 InChI Key
    MYFATKRONKHHQL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C1=CC=CC=C1C2=C3C=CC(=[NH2+])C=C3OC4=C2C=CC(=C4)N.[Cl-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 62669-70-9

    2. 3,6-diamino-9-(2-(methoxycarbonyl)phenyl)xanthylium Chloride

    3. 3,6-diamino-9-[2-(methoxycarbonyl)phenyl]xanthylium Chloride

    4. Rh 123

    5. Chebi:8828

    6. Rh-123

    7. Rhodamin 123 Chloride

    8. Schembl37743

    9. Chembl245839

    10. Schembl18816029

    11. Dtxsid00886503

    12. Amy40920

    13. Hy-d0816

    14. Akos015917525

    15. Akos015958728

    16. Cs-7693

    17. R-22420rh-123

    18. R-4500

    19. R-22420

    20. 2-(6-amino-3-imino-3h-xanthen-9-yl)benzoic Acid Methyl Ester

    21. 3,6-diamino-9-(2-methoxycarbonyl-phenyl)-xanthenylium; Chloride

    22. [6-amino-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium;chloride

    23. 6-amino-9-[2-(methoxycarbonyl)phenyl]-3h-xanthen-3-iminium Chloride

    2.3 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 380.8 g/mol
    Molecular Formula C21H17ClN2O3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass380.0927701 g/mol
    Monoisotopic Mass380.0927701 g/mol
    Topological Polar Surface Area87.1 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity670
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Fluorescent Dyes

    Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags. (See all compounds classified as Fluorescent Dyes.)