KEGG   DRUG: Methotrexate sodium
Entry
D02115                      Drug                                   

Name
Methotrexate sodium;
Trexall (TN);
Rasuvo (TN)
Product
  Generic
METHOTREXATE (Amneal Pharmaceuticals NY LLC), METHOTREXATE (Aurobindo Pharma Limited), METHOTREXATE (AvKARE), METHOTREXATE (Bryant Ranch Prepack), METHOTREXATE (Bryant Ranch Prepack), METHOTREXATE (Golden State Medical Supply), METHOTREXATE (Mylan Institutional), METHOTREXATE (Mylan Institutional LLC), METHOTREXATE (Mylan Pharmaceuticals), METHOTREXATE (PD-Rx Pharmaceuticals), METHOTREXATE (REMEDYREPACK), METHOTREXATE (Teva Parenteral Medicines), METHOTREXATE (Teva Parenteral Medicines), METHOTREXATE (Teva Pharmaceuticals USA), TREXALL (Teva Women's Health), METHOTREXATE (A-S Medication Solutions), METHOTREXATE (Fresenius Kabi USA), METHOTREXATE (Fresenius Kabi USA), METHOTREXATE SODIUM (REMEDYREPACK), METHOTREXATE (Sun Pharmaceutical Industries), METHOTREXATE SODIUM (West-Ward Pharmaceuticals Corp.)
Formula
C20H21N8O5. Na
Exact mass
476.1533
Mol weight
476.4211
Structure
Simcomp
Class
Antineoplastic
 DG01930  Dihydrofolate reductase inhibitor, antineoplastic
 DG01978  Folic acid analog
  DG01930  Dihydrofolate reductase inhibitor, antineoplastic
 DG02018  Antimetabolite
  DG01978  Folic acid analog
   DG01930  Dihydrofolate reductase inhibitor, antineoplastic
Anti-inflammatory
 DG01985  Disease modifying anti-rheumatic drugs (DMARDs)
Remark
ATC code: L01BA01 L04AX03
Chemical structure group: DG00681
Product (DG00681): D00142<JP/US> D02115<US>
Efficacy
Antineoplastic, Antimetabolite
  Disease
Choriocarcinoma [DS:H00028]
Breast cancer [DS:H00031]
Epidermoid cancers of the head and neck [DS:H02420]
Mycosis fungoides [DS:H01463]
Lung cancer [DS:H00013 H00014]
Non-Hodgkin's lymphomas [DS:H02418]
Psoriasis [DS:H01656]
Rheumatoid arthritis [DS:H00630]
Juvenile rheumatoid arthritis [DS:H01672]
Target
DHFR [HSA:1719 200895] [KO:K00287]
  Pathway
hsa00670  One carbon pool by folate
hsa00790  Folate biosynthesis
Interaction
Structure map
map07041  Antineoplastics - antimetabolic agents
map07046  Immunosuppressive agents
map07050  Antirheumatics - DMARDs and biological agents
Other map
map04976  Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01B ANTIMETABOLITES
    L01BA Folic acid analogues
     L01BA01 Methotrexate
      D02115  Methotrexate sodium <US>
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AX Other immunosuppressants
     L04AX03 Methotrexate
      D02115  Methotrexate sodium <US>
USP drug classification [BR:br08302]
 Antineoplastics
  Antineoplastics, Other
   Methotrexate
    D02115  Methotrexate sodium
 Immunological Agents
  Immunosuppressants
   Antimetabolites, Antiproliferative
    Methotrexate
     D02115  Methotrexate sodium
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dihydrofolate reductase
    DHFR
     D02115  Methotrexate sodium <US>
Other DBs
CAS: 15475-56-6
PubChem: 7849176
DrugBank: DB00563
LigandBox: D02115
NIKKAJI: J399.785E
KCF data

ATOM        34
            1   C8y C    23.0300  -14.3500
            2   N5x N    23.0300  -15.7500
            3   C8y C    24.2900  -16.4500
            4   C8y C    25.4800  -15.7500
            5   C8y C    25.4800  -14.3500
            6   N5x N    24.2900  -13.6500
            7   N5x N    26.7400  -16.4500
            8   C8y C    27.9300  -15.7500
            9   C8x C    27.9300  -14.3500
            10  N5x N    26.7400  -13.6500
            11  N1a N    21.8400  -13.6500
            12  N1a N    24.2900  -17.8500
            13  C1b C    29.1200  -16.4500
            14  N1c N    30.3100  -15.7500
            15  C8y C    31.5000  -16.4500
            16  C1a C    30.3100  -14.3500
            17  C8x C    31.5000  -17.8500
            18  C8x C    32.7600  -18.5500
            19  C8y C    33.9500  -17.8500
            20  C8x C    33.9500  -16.4500
            21  C8x C    32.7600  -15.7500
            22  C5a C    35.1400  -18.5500
            23  N1b N    36.4000  -17.8500
            24  O5a O    35.1400  -19.9500
            25  C1c C    37.5900  -18.5500
            26  C1b C    38.7800  -17.8500
            27  C1b C    39.9700  -18.5500
            28  C6a C    41.1600  -17.8500
            29  O6a O    42.3500  -18.5500 #-
            30  C6a C    37.5900  -19.9500
            31  O6a O    38.7800  -20.6500
            32  O6a O    36.3300  -20.6500
            33  O6a O    41.1600  -16.4500
            34  Z   Na   43.9600  -18.6200 #+
BOND        35
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    1  11 1
            13    3  12 1
            14    8  13 1
            15   13  14 1
            16   14  15 1
            17   14  16 1
            18   15  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   15  21 1
            24   19  22 1
            25   22  23 1
            26   22  24 2
            27   23  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   25  30 1 #Up
            33   30  31 1
            34   30  32 2
            35   28  33 2

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