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    CAS 1025716-99-7

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    CAS 1025716-99-7
    Also known as: 1025716-99-7, Schembl533661, Akos015890561, C14024, Methyl 3-guanidino-4-methylbenzoate mononitrate, 3-(aminoiminomethylamino)-4-methylbenzoic acid methyl ester nitrate
    Molecular Formula
    C10H14N4O5
    Molecular Weight
    270.24  g/mol
    InChI Key
    SFHRCNFZNRMPOT-UHFFFAOYSA-N
    1 2D Structure

    CAS 1025716-99-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 3-(diaminomethylideneamino)-4-methylbenzoate;nitric acid
    2.1.2 InChI
    InChI=1S/C10H13N3O2.HNO3/c1-6-3-4-7(9(14)15-2)5-8(6)13-10(11)12;2-1(3)4/h3-5H,1-2H3,(H4,11,12,13);(H,2,3,4)
    2.1.3 InChI Key
    SFHRCNFZNRMPOT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=C(C=C1)C(=O)OC)N=C(N)N.[N+](=O)(O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1025716-99-7

    2. Schembl533661

    3. Akos015890561

    4. C14024

    5. Methyl 3-guanidino-4-methylbenzoate Mononitrate

    6. 3-(aminoiminomethylamino)-4-methylbenzoic Acid Methyl Ester Nitrate

    2.3 Create Date
    2010-09-07
    3 Chemical and Physical Properties
    Molecular Weight 270.24 g/mol
    Molecular Formula C10H14N4O5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass270.09641956 g/mol
    Monoisotopic Mass270.09641956 g/mol
    Topological Polar Surface Area157 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity286
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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    Riddhesh Pharmachem

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      3-(Dimethylamino)-1-(pyridine-3- yl)prop-2-en-1-one

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      Nilotinib
      Riddhesh Pharmachem is a contract research and contract manufacturer from India. It has developed a servi...
      Riddhesh Pharmachem is a contract research and contract manufacturer from India. It has developed a service-oriented system that has allowed it to become a leading manufacturer and supplier of raw materials for Pharmaceutical and Chemical companies globally and regionally. During a very successful period of business incubation within the Group, Riddhesh Pharmachem has developed its substantial sector-specific expertise and established its reputation. The business has moved into the global market and integrated into worldwide manufacturers and suppliers which are looking to contract manufacturers or suppliers from India.
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      Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

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