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dabigatran etexilate methanesulfonate
A methanesulfonate salt obtained by reaction of dabigatran etexilate with one equivalent of dabigatran etexilate. A prodrug for dabigatran, a thrombin inhibitor and anticoagulant which is used for the prevention of stroke and systemic embolism.


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05. Industrial Uses: pharmaceutical [CHEBI:52217] > drug [CHEBI:23888] > hematologic agent [CHEBI:50248] > anticoagulant [CHEBI:50249]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 enzyme inhibitor [CHEBI:23924] (825) 
 thrombin inhibitor [CHEBI:65232] (4) 
 dabigatran etexilate methanesulfonate [CHEBI:70743] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 hematologic agent [CHEBI:50248] (64) 
 anticoagulant [CHEBI:50249] (29) 
 dabigatran etexilate methanesulfonate [CHEBI:70743] (1)
 prodrug [CHEBI:50266] (88) 
 dabigatran etexilate methanesulfonate [CHEBI:70743] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 chalcogen molecular entity [CHEBI:33304] (15225) 
 sulfur molecular entity [CHEBI:26835] (1541) 
 organosulfur compound [CHEBI:33261] (1005) 
 methanesulfonates [CHEBI:48544] (33) 
 methanesulfonate salt [CHEBI:38037] (28) 
 dabigatran etexilate methanesulfonate [CHEBI:70743] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organosulfur compound [CHEBI:33261] (1005) 
 methanesulfonates [CHEBI:48544] (33) 
 methanesulfonate salt [CHEBI:38037] (28) 
 dabigatran etexilate methanesulfonate [CHEBI:70743] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organochalcogen compound [CHEBI:36962] (11874) 
 organosulfur compound [CHEBI:33261] (1005) 
 methanesulfonates [CHEBI:48544] (33) 
 methanesulfonate salt [CHEBI:38037] (28) 
 dabigatran etexilate methanesulfonate [CHEBI:70743] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 salt [CHEBI:24866] (931) 
 organic salt [CHEBI:24868] (775) 
 organosulfonate salt [CHEBI:64382] (37) 
 methanesulfonate salt [CHEBI:38037] (28) 
 dabigatran etexilate methanesulfonate [CHEBI:70743] (1)
ChEBI Compound Accession Identifier  [CHEBI:70743]
ChEBI Compound Description  A methanesulfonate salt obtained by reaction of dabigatran etexilate with one equivalent of dabigatran etexilate. A prodrug for dabigatran, a thrombin inhibitor and anticoagulant which is used for the prevention of stroke and systemic embolism.
ChEBI Compound Identification Number  70743
ChEBI InChI Value  "InChI=1S/C34H41N7O5.CH4O3S/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29;1-5(2,3)4/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44);1H3,(H,2,3,4)"
ChEBI InChIKey Value  XETBXHPXHHOLOE-UHFFFAOYSA-N
ChEBI Compound Name  dabigatran etexilate methanesulfonate
ChEBI SMILES Value  CS(O)(=O)=O.CCCCCCOC(=O)\\N=C(\\N)c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c2ccccn2)cc1
ChEBI Substance ID  160646039
ChEBI URL  ChEBI:70743
ChemSpider ID  8615298
Ontomatica Chemical Accession Key (OnChAKey)  XETBXHPXHHOLOE_UHFFFAOYSA_N_000_000000
PubChem Compound ID  10439877