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    CAS 1421372-67-9

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    CAS 1421372-67-9
    Also known as: 1421372-67-9, 1,4-benzenediamine, n1-[2-(dimethylamino)ethyl]-5-methoxy-n1-methyl-n4-[4-(1-methyl-1h-indol-3-yl)-2-pyrimidinyl]-2-nitro-, 4-n-[2-(dimethylamino)ethyl]-2-methoxy-4-n-methyl-1-n-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine, Mfcd28167947, 1,4-benzenediamine,n1-[2-(dimethylamino)ethyl]-5-methoxy-n1-methyl-n4-[4-(1-methyl-1h-indol-3-yl)-2-pyrimidinyl]-2-nitro-, N1-[2-(dimethylamino)ethyl]-5-methoxy-n1-methyl-n4-[4-(1-methyl-1h-indol-3-yl)-2-pyrimidinyl]-2-nitro-1,4-benzenediamine
    Molecular Formula
    C25H29N7O3
    Molecular Weight
    475.5  g/mol
    InChI Key
    PKEPAQKEINNCAB-UHFFFAOYSA-N
    1 2D Structure

    CAS 1421372-67-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine
    2.1.2 InChI
    InChI=1S/C25H29N7O3/c1-29(2)12-13-30(3)22-15-24(35-5)20(14-23(22)32(33)34)28-25-26-11-10-19(27-25)18-16-31(4)21-9-7-6-8-17(18)21/h6-11,14-16H,12-13H2,1-5H3,(H,26,27,28)
    2.1.3 InChI Key
    PKEPAQKEINNCAB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=CC(=C(C=C4OC)N(C)CCN(C)C)[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1421372-67-9

    2. 1,4-benzenediamine, N1-[2-(dimethylamino)ethyl]-5-methoxy-n1-methyl-n4-[4-(1-methyl-1h-indol-3-yl)-2-pyrimidinyl]-2-nitro-

    3. 4-n-[2-(dimethylamino)ethyl]-2-methoxy-4-n-methyl-1-n-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine

    4. Mfcd28167947

    5. 1,4-benzenediamine,n1-[2-(dimethylamino)ethyl]-5-methoxy-n1-methyl-n4-[4-(1-methyl-1h-indol-3-yl)-2-pyrimidinyl]-2-nitro-

    6. N1-[2-(dimethylamino)ethyl]-5-methoxy-n1-methyl-n4-[4-(1-methyl-1h-indol-3-yl)-2-pyrimidinyl]-2-nitro-1,4-benzenediamine

    7. N1-[2-(dimethylamino)ethyl]-5-methoxy-n1-methyl-n4-[4-(1-methyl-3-indolyl)-2-pyrimidinyl]-2-nitro-1,4-benzenediamine

    8. N1-[2-(dimethylamino)ethyl]-5-methoxy-n1-methyl-n4-[4-(1-methyl-1h-indol-3-yl)pyrimidin-2-yl]-2-nitrobenzene-1,4-diamine

    9. Chembl4856996

    10. Schembl14661172

    11. Amy5294

    12. Dtxsid401104998

    13. Cs-m2845

    14. Akos027327313

    15. Zinc146568246

    16. Sb18083

    17. Ac-30104

    18. Da-45006

    19. Ds-11354

    20. Sy237916

    21. Ft-0758308

    22. A885231

    23. N'-(2-dimethylaminoethyl)-2-methoxy-n'-methyl-n-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine

    24. N-(2-dimethylamino-ethyl)-2-methoxy-n-methyl-n-[4-(1-methyl-1h-indol-3-yl)-pyrimidin-2-yl]-5-nitro-benzene-1,4-diamine

    25. N4-(2-dimethylaminoethyl)-2-methoxy-n4-methyl-n1-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitro-benzene-1,4-diamine

    2.3 Create Date
    2013-03-21
    3 Chemical and Physical Properties
    Molecular Weight 475.5 g/mol
    Molecular Formula C25H29N7O3
    XLogP33.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count8
    Exact Mass475.23318781 g/mol
    Monoisotopic Mass475.23318781 g/mol
    Topological Polar Surface Area104 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity693
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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    We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experience & presence in 20+ countries. At Boyuan, we are committed to providing high-quality products & services. Formerly known as “Jinan Boyuan Chemical Co., Ltd” & “Shandong Boyuan Chemical Co., Ltd.” Boyuan was founded in June 2001. We have 2 manufacturing plants in the cities of Jiyang & Yucheng in Shandong Province, China & both are in line with the GMP standard, following a strict quality system & conforming with international standards. Boyuan is dedicated to anti-cancer, anti-fungal & other APIs & intermediates associated.
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        VIDGAS aims to provide our pharmaceutical, Bio pharma, Agrochemical, Food and Fine chemical customers with the highest quality SFC and HPLC purification and isolation solutions that market has to offer. With our 25 years of HPLC experience, we are able to provide variety of products with custom tailored answers for even most difficult separations. Our team of professional Chromatographers is available to assist in HPLC and SFC methods development solutions. Here at VIDGAS we are constantly innovating and pursuing the limits of HPLC and SFC.
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