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03. Biological Effects of Specific Chemicals
03. Biological Effects of Specific Chemicals
dabigatran etexilate methanesulfonate [CHEBI:70743] (1)
05. Industrial Uses
05. Industrial Uses
dabigatran etexilate methanesulfonate [CHEBI:70743] (1)
dabigatran etexilate methanesulfonate [CHEBI:70743] (1)
08. Chemical Category
08. Chemical Category
dabigatran etexilate methanesulfonate [CHEBI:70743] (1)
dabigatran etexilate methanesulfonate [CHEBI:70743] (1)
dabigatran etexilate methanesulfonate [CHEBI:70743] (1)
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