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    Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-, monohydrochloride

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 55661-38-6, Nimustine hcl, Acnu, Nidran, Nidran hydrochloride, Nimustine (hydrochloride)
    Molecular Formula
    C9H14Cl2N6O2
    Molecular Weight
    309.15  g/mol
    InChI Key
    KPMKNHGAPDCYLP-UHFFFAOYSA-N
    FDA UNII
    DFR965WKBU
    Antineoplastic agent especially effective against malignant brain tumors. The resistance which brain tumor cells acquire to the initial effectiveness of this drug can be partially overcome by the simultaneous use of membrane-modifying agents such as reserpine, calcium antagonists such as nicardipine or verapamil, or the calmodulin inhibitor, trifluoperazine. The drug has also been used in combination with other antineoplastic agents or with radiotherapy for the treatment of various neoplasms.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea;hydrochloride
    2.1.2 InChI
    InChI=1S/C9H13ClN6O2.ClH/c1-6-12-4-7(8(11)14-6)5-13-9(17)16(15-18)3-2-10;/h4H,2-3,5H2,1H3,(H,13,17)(H2,11,12,14);1H
    2.1.3 InChI Key
    KPMKNHGAPDCYLP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NC=C(C(=N1)N)CNC(=O)N(CCCl)N=O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    DFR965WKBU
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Acnu

    2. Nimustine

    3. Nsc 245382

    2.3.2 Depositor-Supplied Synonyms

    1. 55661-38-6

    2. Nimustine Hcl

    3. Acnu

    4. Nidran

    5. Nidran Hydrochloride

    6. Nimustine (hydrochloride)

    7. Nimustina Clorhidrato

    8. Cs 439 Hcl

    9. 52208-23-8

    10. Nimustine Hydrochloride [jan]

    11. Nsc-245,382

    12. Dfr965wkbu

    13. Chebi:7576

    14. 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-1-(2-chloroethyl)-1-nitrosourea Hydrochloride

    15. Nsc-245382

    16. 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-1-(2-chloroethyl)-1-nitrosourea Hydrochloride

    17. 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea Hydrochloride

    18. Nimustine Hydrochloride (jan)

    19. 1-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-3-(2-chloroethyl)-3-nitrosourea Hydrochloride

    20. 3-((4-amino-2-methylpyrimidin-5-yl)methyl)-1-(2-chloroethyl)-1-nitrosourea Hydrochloride

    21. Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-n-(2-chloroethyl)-n-nitroso-, Monohydrochloride (9ci)

    22. Nimustina Clorhidrato [spanish]

    23. Unii-dfr965wkbu

    24. Cs-439

    25. Nimustinehcl

    26. 3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitroso-urea Hydrochloride

    27. Mfcd01676942

    28. Nidran (tn)

    29. Pimustine Hydrochloride

    30. Nimustine Hcl(acnu)

    31. Nimustine Monohydrochloride

    32. 1-(2-cloroetil)-1-nitroso-3-((2-metil-4-aminopirimidin-5-il)metil)urea Clorhidrato [spanish]

    33. 1-(4-amino-2-methyl-5-pyrimidinyl)methyl-3-(2-chloroethyl)-3-nitrosourea Hydrochloride

    34. 1-(4-amino-2-methylpyrimidine-5-yl)methyl-3-(2-chloroethyl)-3-nitrosourea Hydrochloride

    35. N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-n-(2-chloroethyl)-n-nitrosourea Hcl

    36. N'-((4-amino-2-metil-5-pirimidinil)metil)-n-(2-cloroetil)-n-nitrosourea Clorhidrato [spanish]

    37. Schembl98303

    38. Acnu 50

    39. Mls002153238

    40. Nimustine Hydrochloride, Solid

    41. Chembl1256616

    42. Dtxsid80204185

    43. Amy23419

    44. Bcp11668

    45. Nimustine Hydrochloride [mi]

    46. Hy-13703a

    47. Nsc245382

    48. S5293

    49. Akos015895226

    50. Ccg-267570

    51. Nimustine Hydrochloride [mart.]

    52. 1-(2-cloroetil)-1-nitroso-3-((2-metil-4-aminopirimidin-5-il)metil)urea Clorhidrato

    53. 3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitroso-urea Hydrochloride

    54. 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea;hydrochloride

    55. N'-((4-amino-2-metil-5-pirimidinil)metil)-n-(2-cloroetil)-n-nitrosourea Clorhidrato

    56. Nimustine Hydrochloride [who-dd]

    57. Ac-15840

    58. Bn164659

    59. Bs-44102

    60. Smr001230702

    61. Urea, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-1-(2-chloroethyl)-1-nitroso-, Monohydrochloride

    62. Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-n-(2-chloroethyl)-n-nitroso-, Monohydrochloride

    63. Wln: T6n Cnj B1 Dz E1mvnno&2g

    64. Cs-0007733

    65. Ft-0630684

    66. N0821

    67. A12636

    68. D01059

    69. 208n238

    70. A825909

    71. A828980

    72. A830740

    73. Q27107532

    74. Nimustine Hcl; Nsc-245,382; Nsc245,382; Nsc 245,382

    75. 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)-3-nitrosourea

    76. 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)-3-nitrosourea Hydrochloride

    77. Urea, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-1-(2-chloroethyl)-1-nitroso-

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 309.15 g/mol
    Molecular Formula C9H14Cl2N6O2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass308.0555291 g/mol
    Monoisotopic Mass308.0555291 g/mol
    Topological Polar Surface Area114 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity292
    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

    Antineoplastic Agents

    Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)