KEGG   DRUG: Escitalopram oxalate
Entry
D02567                      Drug                                   

Name
Escitalopram oxalate (JAN/USP);
Lexapro (TN)
Product
  Generic
ESCITALOPRAM (A-S Medication Solutions), ESCITALOPRAM (A-S Medication Solutions), ESCITALOPRAM (A-S Medication Solutions), ESCITALOPRAM (Accord Healthcare), ESCITALOPRAM OXALATE (Amneal Pharmaceuticals LLC), ESCITALOPRAM (Aphena Pharma Solutions - Tennessee), ESCITALOPRAM (Bryant Ranch Prepack), ESCITALOPRAM (Bryant Ranch Prepack), ESCITALOPRAM (Bryant Ranch Prepack), ESCITALOPRAM (Bryant Ranch Prepack), ESCITALOPRAM (Cadila Healthcare Limited), ESCITALOPRAM OXALATE (Cipla USA), ESCITALOPRAM (Denton Pharma), ESCITALOPRAM (Denton Pharma), ESCITALOPRAM (DirectRX), ESCITALOPRAM OXALATE (Exelan Pharmaceuticals), ESCITALOPRAM (International Laboratories), ESCITALOPRAM (Lake Erie Medical DBA Quality Care Products LLC), ESCITALOPRAM OXALATE (Legacy Pharmaceutical Packaging), ESCITALOPRAM (Macleods Pharmaceuticals Limited), ESCITALOPRAM (NuCare Pharmaceuticals), ESCITALOPRAM (NuCare Pharmaceuticals), ESCITALOPRAM (NuCare Pharmaceuticals), ESCITALOPRAM (NuCare Pharmaceuticals), ESCITALOPRAM (NuCare Pharmaceuticals), ESCITALOPRAM (NuCare Pharmaceuticals), ESCITALOPRAM (PD-Rx Pharmaceuticals), ESCITALOPRAM (Preferred Pharmaceuticals), ESCITALOPRAM (Preferred Pharmaceuticals), ESCITALOPRAM (Preferred Pharmaceuticals), ESCITALOPRAM (Preferred Pharmaceuticals), ESCITALOPRAM (Preferred Pharmaceuticals), ESCITALOPRAM (Proficient Rx LP), ESCITALOPRAM (Proficient Rx LP), ESCITALOPRAM (Proficient Rx LP), ESCITALOPRAM (QPharma), ESCITALOPRAM (QPharma), ESCITALOPRAM (Quality Care Products), ESCITALOPRAM (Quality Care Products), ESCITALOPRAM (REMEDYREPACK), ESCITALOPRAM (REMEDYREPACK), ESCITALOPRAM (REMEDYREPACK), ESCITALOPRAM (REMEDYREPACK), ESCITALOPRAM (REMEDYREPACK), ESCITALOPRAM (REMEDYREPACK), ESCITALOPRAM (REMEDYREPACK), ESCITALOPRAM (REMEDYREPACK), ESCITALOPRAM (RedPharm Drug), ESCITALOPRAM (RedPharm Drug), ESCITALOPRAM (RedPharm Drug), ESCITALOPRAM (RedPharm Drug), ESCITALOPRAM (SOLCO HEALTHCARE US), ESCITALOPRAM (St. Mary's Medical Park Pharmacy), ESCITALOPRAM (St. Mary's Medical Park Pharmacy), ESCITALOPRAM (Teva Pharmaceuticals USA), ESCITALOPRAM (Unit Dose Services), ESCITALOPRAM (Zydus Pharmaceuticals (USA)), ESCITALOPRAM (medsource pharmaceuticals), ESCITALOPRAM OXALATE (ATLANTIC BIOLOGICALS CORP), ESCITALOPRAM (American Health Packaging), ESCITALOPRAM OXALATE (Amneal Pharmaceuticals LLC), ESCITALOPRAM OXALATE (Aurobindo Pharma Limited), ESCITALOPRAM (Aurobindo Pharma Limited), ESCITALOPRAM (BluePoint Laboratories), ESCITALOPRAM (Bryant Ranch Prepack), ESCITALOPRAM OXALATE (Bryant Ranch Prepack), ESCITALOPRAM OXALATE (Bryant Ranch Prepack), ESCITALOPRAM OXALATE (Camber Pharmaceuticals), ESCITALOPRAM (Cardinal Health), ESCITALOPRAM OXALATE (Cardinal Health), ESCITALOPRAM OXALATE (Contract Pharmacy Services-PA), ESCITALOPRAM OXALATE (DIRECT RX), ESCITALOPRAM OXALATE (Denton Pharma), ESCITALOPRAM OXALATE (Denton Pharma), ESCITALOPRAM OXALATE (Denton Pharma), ESCITALOPRAM (Graviti Pharmaceuticals Private Limited), ESCITALOPRAM (Jubilant Cadista Pharmaceuticals), ESCITALOPRAM OXALATE (Lannett Company), ESCITALOPRAM OXALATE (Macleods Pharmaceuticals Limited), ESCITALOPRAM OXALATE (Major Pharmaceuticals), ESCITALOPRAM OXALATE (PD-Rx Pharmaceuticals), ESCITALOPRAM OXALATE (Pharmaceutical Associates), ESCITALOPRAM OXALATE (Preferred Pharmaceuticals), ESCITALOPRAM (Proficient Rx LP), ESCITALOPRAM (Proficient Rx LP), ESCITALOPRAM OXALATE (Proficient Rx LP), ESCITALOPRAM (QPharma), ESCITALOPRAM OXALATE (REMEDYREPACK), ESCITALOPRAM OXALATE (REMEDYREPACK), ESCITALOPRAM (REMEDYREPACK), ESCITALOPRAM OXALATE (St. Mary's Medical Park Pharmacy), ESCITALOPRAM OXALATE (St. Mary's Medical Park Pharmacy), ESCITALOPRAM (Taro Pharmaceuticals U.S.A.), ESCITALOPRAM OXALATE (Torrent Pharmaceuticals Limited), ESCITALOPRAM OXALATE (medsource pharmaceuticals), ESCITALOPRAM (Lupin Pharmaceuticals), ESCITALOPRAM (NCS HealthCare of KY), ESCITALOPRAM (REMEDYREPACK), ESCITALOPRAM (REMEDYREPACK)
Formula
C20H21FN2O. C2H2O4
Exact mass
414.1591
Mol weight
414.4268
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01659  Selective serotonin reuptake inhibitor (SSRI)
Metabolizing enzyme substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG02913  CYP3A4 substrate
 DG02917  MAO substrate
 DG02953  AOX substrate
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
Therapeutic category: 1179
ATC code: N06AB10
Chemical structure group: DG00947
Product (DG00947): D02567<JP/US>
Efficacy
Antidepressant, Selective serotonin reuptake inhibitor (SSRI)
  Disease
Major depressive disorder [DS:H01646]
Generalized anxiety disorder [DS:H01662]
Comment
Citalopram derivative
Target
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
  Pathway
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2C19 [HSA:1557], CYP2D6 [HSA:1565]; MAO [HSA:4128 4129], AOX [HSA:316]
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Structure map
map07234  Neurotransmitter transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AB Selective serotonin reuptake inhibitors
     N06AB10 Escitalopram
      D02567  Escitalopram oxalate (JAN/USP) <JP/US>
USP drug classification [BR:br08302]
 Antidepressants
  SSRIs/SNRIs (Selective Serotonin Reuptake Inhibitors/Serotonin and Norepinephrine Reuptake Inhibitors)
   Escitalopram
    D02567  Escitalopram oxalate (JAN/USP)
 Anxiolytics
  SSRIs/SNRIs (Selective Serotonin Reuptake Inhibitors/Serotonin and Norepinephrine Reuptake Inhibitors)
   Escitalopram
    D02567  Escitalopram oxalate (JAN/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1179  Others
     D02567  Escitalopram oxalate (JAN/USP)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A4 (HTT)
     D02567  Escitalopram oxalate (JAN/USP) <JP/US>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D02567
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02567
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D02567
Other DBs
CAS: 219861-08-2
PubChem: 17396738
ChEMBL: CHEMBL1200322
DrugBank: DB01175
LigandBox: D02567
LinkDB
KCF data

ATOM        30
            1   C8x C    13.2300  -15.0500
            2   C8y C    13.2300  -13.6500
            3   C8x C    14.4200  -12.9500
            4   C8y C    15.6800  -13.6500
            5   C8y C    15.6800  -15.0500
            6   C8x C    14.4200  -15.7500
            7   C1x C    17.0100  -13.2300
            8   O2x O    17.7800  -14.3500
            9   C1z C    17.0100  -15.4700
            10  C8y C    17.0100  -16.8700
            11  C8x C    18.2000  -17.5700
            12  C8x C    18.2000  -18.9700
            13  C8y C    17.0800  -19.6700
            14  C8x C    15.8200  -18.9700
            15  C8x C    15.8200  -17.5700
            16  X   F    17.0800  -21.0700
            17  C3b C    12.0400  -12.9500
            18  N3a N    10.8500  -12.2500
            19  C1b C    18.4100  -15.4700
            20  C1b C    19.1100  -16.6824
            21  C1b C    20.5100  -16.6600
            22  N1c N    21.2293  -17.8611
            23  C1a C    22.6100  -17.8388
            24  C1a C    20.5491  -19.0842
            25  O6a O    26.2500  -15.7500
            26  C6a C    27.4624  -16.4500
            27  C6a C    28.6579  -15.7596
            28  O6a O    27.4625  -17.8498
            29  O6a O    29.8453  -16.4451
            30  O6a O    28.6580  -14.3503
BOND        31
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    9  10 1 #Up
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18   13  16 1
            19    2  17 1
            20   17  18 3
            21    9  19 1 #Down
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   22  24 1
            27   25  26 1
            28   26  27 1
            29   26  28 2
            30   27  29 1
            31   27  30 2

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