KEGG   DRUG: Tiotropium bromide hydrate
Entry
D01929                      Drug                                   
Name
Tiotropium bromide hydrate (JAN);
Tiotropium bromide monohydrate;
Spiriva (TN)
Product
SPIRIVA (A-S Medication Solutions), SPIRIVA (Boehringer Ingelheim Pharmaceuticals), SPIRIVA RESPIMAT (Boehringer Ingelheim Pharmaceuticals)
  Generic
TIOTROPIUM BROMIDE (Lupin Pharmaceuticals)
Formula
C19H22NO4S2. Br. H2O
Exact mass
489.0279
Mol weight
490.4316
Structure
Class
Neuropsychiatric agent
 DG01491  Muscarinic cholinergic receptor antagonist
Remark
Therapeutic category: 2259
ATC code: R03BB04
Product: D01929<JP/US>
Product (mixture): D10744<JP/US>
Efficacy
Bronchodilator, Muscarinic acetylcholine receptor antagonist
  Disease
Chronic obstructive pulmonary disease [DS:H01714]
Asthma [DS:H00079]
Comment
Tropane derivative
Target
CHRM3 [HSA:1131] [KO:K04131]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
Interaction
Structure map
map07220  Cholinergic and anticholinergic drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03B OTHER DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES, INHALANTS
    R03BB Anticholinergics
     R03BB04 Tiotropium bromide
      D01929  Tiotropium bromide hydrate (JAN) <JP/US>
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Bronchodilators, Anticholinergic
   Tiotropium
    D01929  Tiotropium bromide hydrate (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  22  Respiratory organ agents
   225  Bronchodilators
    2259  Others
     D01929  Tiotropium bromide hydrate (JAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01491  Muscarinic cholinergic receptor antagonist
   D01929  Tiotropium bromide hydrate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM3
     D01929  Tiotropium bromide hydrate (JAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D01929
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D01929
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D01929
Other DBs
CAS: 411207-31-3
PubChem: 7848991
ChEBI: 32230
LigandBox: D01929
LinkDB
KCF data

ATOM        28
            1   C1y C    13.8431  -16.3485
            2   C1y C    13.2356  -17.4333
            3   C1y C    14.7557  -16.0447
            4   O2x O    12.1510  -16.3483
            5   C1y C    14.4507  -16.9126
            6   N2y N    13.7997  -15.0466 #+
            7   C1x C    16.3658  -16.0447
            8   C1x C    16.0998  -16.9126
            9   C1a C    12.5412  -14.4391
            10  C1y C    17.3148  -17.4768
            11  C1a C    13.7997  -13.7001
            12  O7a O    18.2669  -18.4289
            13  C7a C    19.6133  -18.4289
            14  O6a O    20.2804  -19.5842
            15  C1d C    20.2908  -17.2555
            16  C8y C    21.6291  -17.2556
            17  C8y C    19.6229  -16.0986
            18  S2x S    22.4284  -18.3560
            19  C8x C    23.7218  -17.9357
            20  C8x C    23.7219  -16.5757
            21  C8x C    22.4285  -16.1554
            22  O1a O    20.9640  -16.0894
            23  C8x C    18.2764  -16.0986
            24  S2x S    20.0390  -14.8181
            25  C8x C    18.9496  -14.0267
            26  C8x C    17.8604  -14.8181
            27  X   Br   10.4374  -12.8227 #-
            28  O0  O    26.8341  -17.6591
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     5   8 1
            8     6   9 1
            9     7  10 1
            10    2   4 1 #Down
            11    5   6 1
            12    8  10 1
            13    6  11 1
            14   10  12 1
            15   12  13 1
            16   13  14 2
            17   13  15 1
            18   15  16 1
            19   15  17 1
            20   16  18 1
            21   18  19 1
            22   19  20 2
            23   20  21 1
            24   16  21 2
            25   15  22 1
            26   17  23 2
            27   17  24 1
            28   24  25 1
            29   25  26 2
            30   23  26 1

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