KEGG   DRUG: Tiotropium bromide hydrateHelp
Entry
D01929                      Drug                                   

Name
Tiotropium bromide hydrate (JAN);
Tiotropium bromide monohydrate;
Spiriva (TN)
Product
Formula
C19H22NO4S2. Br. H2O
Exact mass
489.0279
Mol weight
490.4316
Structure
Mol fileKCF fileDB search
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
Drug 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)
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
BRITE hierarchy
Other DBs
CAS: 411207-31-3
PubChem: 7848991
ChEBI: 32230
LigandBox: D01929
LinkDB All DBs
KCF data Show

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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