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    Technical details about DSSTox_CID_3369, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_3369

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    Also known as: 2011-67-8, 1-methylnitrazepam, Elimin, Erimin, Methylnitrazepam, 1,3-dihydro-1-methyl-7-nitro-5-phenyl-2h-1,4-benzodiazepin-2-one
    Molecular Formula
    C16H13N3O3
    Molecular Weight
    295.29  g/mol
    InChI Key
    GWUSZQUVEVMBPI-UHFFFAOYSA-N
    FDA UNII
    4532264KW6
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-methyl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one
    2.1.2 InChI
    InChI=1S/C16H13N3O3/c1-18-14-8-7-12(19(21)22)9-13(14)16(17-10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
    2.1.3 InChI Key
    GWUSZQUVEVMBPI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3
    2.2 Other Identifiers
    2.2.1 UNII
    4532264KW6
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-methyl-7-nitro-5-phenyl-1,3-dihydro-2h-1,4- Benzodiazepin-2-one

    2. Hypnon

    3. S-1530

    2.3.2 Depositor-Supplied Synonyms

    1. 2011-67-8

    2. 1-methylnitrazepam

    3. Elimin

    4. Erimin

    5. Methylnitrazepam

    6. 1,3-dihydro-1-methyl-7-nitro-5-phenyl-2h-1,4-benzodiazepin-2-one

    7. Nimetazepamum

    8. Ro 5-3453

    9. S 1530

    10. 1-methyl-5-phenyl-7-nitro-1,3-dihydro-2h-1,4-benzodiazepin-2-one

    11. 1-methyl-7-nitro-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one

    12. 1-methyl-7-nitro-5-phenyl-3h-1,4-benzodiazepin-2-one

    13. S-1530

    14. 2h-1,4-benzodiazepin-2-one, 1,3-dihydro-1-methyl-7-nitro-5-phenyl-

    15. Chebi:31912

    16. Ncgc00164577-01

    17. 4532264kw6

    18. Dsstox_cid_3369

    19. Dsstox_rid_76997

    20. Dsstox_gsid_23369

    21. Nimetazepam [inn:jan]

    22. Nimetazepamum [inn-latin]

    23. Smr000238177

    24. Cas-2011-67-8

    25. Einecs 217-931-5

    26. Brn 0759813

    27. Dormalon

    28. Dea No. 2837

    29. Unii-4532264kw6

    30. Erimin (tn)

    31. Nitrazepam, Methylated

    32. Nimetazepam (jan/inn)

    33. Nimetazepam [mi]

    34. Nimetazepam [inn]

    35. Nimetazepam [jan]

    36. Nimetazepam [mart.]

    37. Schembl79886

    38. Nimetazepam [who-dd]

    39. Mls000759521

    40. Mls001424150

    41. Chembl13341

    42. Dtxsid6023369

    43. Hms2051l16

    44. Hms3393l16

    45. Zinc3831205

    46. Tox21_112205

    47. Akos030239804

    48. Tox21_112205_1

    49. Ccg-101044

    50. Nc00294

    51. Ncgc00164577-02

    52. D01593

    53. 011n678

    54. A814257

    55. Q6149812

    56. 1-methyl-7-nitro-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-2-one

    57. 7-nitro-1,3-dihydro-1-methyl-5-phenyl-2h-1,4-benzodiazepin-2-one

    58. Nimetazepam Solution, 1.0 Mg/ml In Methanol, Ampule Of 1 Ml, Certified Reference Material

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 295.29 g/mol
    Molecular Formula C16H13N3O3
    XLogP32.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass295.09569129 g/mol
    Monoisotopic Mass295.09569129 g/mol
    Topological Polar Surface Area78.5 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity480
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anticonvulsants

    Drugs used to prevent SEIZURES or reduce their severity. (See all compounds classified as Anticonvulsants.)

    GABA Modulators

    Substances that do not act as agonists or antagonists but do affect the GAMMA-AMINOBUTYRIC ACID receptor-ionophore complex. GABA-A receptors (RECEPTORS, GABA-A) appear to have at least three allosteric sites at which modulators act: a site at which BENZODIAZEPINES act by increasing the opening frequency of GAMMA-AMINOBUTYRIC ACID-activated chloride channels; a site at which BARBITURATES act to prolong the duration of channel opening; and a site at which some steroids may act. GENERAL ANESTHETICS probably act at least partly by potentiating GABAergic responses, but they are not included here. (See all compounds classified as GABA Modulators.)

    Hypnotics and Sedatives

    Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. (See all compounds classified as Hypnotics and Sedatives.)

    Anti-Anxiety Agents

    Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here. (See all compounds classified as Anti-Anxiety Agents.)

    4.2 ATC Code

    N - Nervous system

    N05 - Psycholeptics

    N05C - Hypnotics and sedatives

    N05CD - Benzodiazepine derivatives

    N05CD15 - Nimetazepam

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