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Details

Stereochemistry ACHIRAL
Molecular Formula C34H41N7O5.CH4O3S
Molecular Weight 723.839
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DABIGATRAN ETEXILATE MESYLATE

SMILES

CS(O)(=O)=O.CCCCCCOC(=O)NC(=N)C1=CC=C(NCC2=NC3=C(C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=NC=CC=C4)N2C)C=C1

InChI

InChIKey=XETBXHPXHHOLOE-UHFFFAOYSA-N
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)

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
DABIGATRAN ETEXILATE MESYLATE
DASH   ORANGE BOOK   USAN  
USAN  
Official Name English
PRADAXA (DABIGATRAN ETEXILATE MESYLATE)
Brand Name English
BIBR 1048 MS
Code English
DABIGATRAN ETEXILATE MESYLATE [ORANGE BOOK]
Common Name English
Dabigatran Etexilate Mesilate [WHO-DD]
Common Name English
.BETA.-ALANINE, N-((2-(((4-((((HEXYLOXY)CARBONYL)AMINO)IMINOMETHYL)PHENYL)AMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)-N-2-PYRIDINYL-, ETHYL ESTER, METHANESULFONATE
Common Name English
ETHYL 3-(((2-(((4-(((HEXYLOXY)CARBONYL)CARBAMIMIDOYL)PHENYL)AMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)(PYRIDIN-2-YL)AMINO)PROPANOATE, METHANESULPHONATE
Systematic Name English
BIBR-1048-MS
Code English
DABIGATRAN ETEXILATE MESILATE [MART.]
Common Name English
.BETA.-ALANINE, N-((2-(((4-((((HEXYLOXY)CARBONYL)AMINO)IMINOMETHYL)PHENYL)AMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)-N-2-PYRIDINYL-, ETHYL ESTER, METHANESULPHONATE (1:1)
Common Name English
DABIGATRAN ETEXILATE METHANESULFONATE
JAN  
Common Name English
DABIGATRAN ETEXILATE MESILATE
EMA EPAR   MART.   WHO-DD  
Common Name English
.BETA.-ALANINE, N-((2-(((4-((((HEXYLOXY)CARBONYL)AMINO)IMINOMETHYL)PHENYL)AMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)-N-2-PYRIDINYL-, ETHYL ESTER, METHANESULPHONATE
Common Name English
.BETA.-ALANINE, N-((2-(((4-((((HEXYLOXY)CARBONYL)AMINO)IMINOMETHYL)PHENYL)AMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)-N-2-PYRIDINYL-, ETHYL ESTER, METHANESULFONATE (1:1)
Common Name English
ETHYL 3-(((2-(((4-(((HEXYLOXY)CARBONYL)CARBAMIMIDOYL)PHENYL)AMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)(PYRIDIN-2-YL)AMINO)PROPANOATE, METHANESULFONATE
Systematic Name English
DABIGATRAN ETEXILATE (AS MESILATE)
Common Name English
DABIGATRAN ETEXILATE MESILATE [EMA EPAR]
Common Name English
DABIGATRAN ETEXILATE MESYLATE [USAN]
Common Name English
Classification Tree Code System Code
EMA ASSESSMENT REPORTS PRADAXA (AUTHORIZED: VENOUS THROMBOEMBOLISM)
Created by admin on Fri Dec 15 16:10:22 UTC 2023 , Edited by admin on Fri Dec 15 16:10:22 UTC 2023
NCI_THESAURUS C263
Created by admin on Fri Dec 15 16:10:22 UTC 2023 , Edited by admin on Fri Dec 15 16:10:22 UTC 2023
EMA ASSESSMENT REPORTS PRADAXA (AUTHORIZED: ARTHROPLASTY, REPLACEMENT)
Created by admin on Fri Dec 15 16:10:22 UTC 2023 , Edited by admin on Fri Dec 15 16:10:22 UTC 2023
Code System Code Type Description
FDA UNII
SC7NUW5IIT
Created by admin on Fri Dec 15 16:10:22 UTC 2023 , Edited by admin on Fri Dec 15 16:10:22 UTC 2023
PRIMARY
DRUG BANK
DBSALT000035
Created by admin on Fri Dec 15 16:10:22 UTC 2023 , Edited by admin on Fri Dec 15 16:10:22 UTC 2023
PRIMARY
SMS_ID
100000090399
Created by admin on Fri Dec 15 16:10:22 UTC 2023 , Edited by admin on Fri Dec 15 16:10:22 UTC 2023
PRIMARY
CAS
872728-81-9
Created by admin on Fri Dec 15 16:10:22 UTC 2023 , Edited by admin on Fri Dec 15 16:10:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID20236248
Created by admin on Fri Dec 15 16:10:22 UTC 2023 , Edited by admin on Fri Dec 15 16:10:22 UTC 2023
PRIMARY
USAN
UU-127
Created by admin on Fri Dec 15 16:10:22 UTC 2023 , Edited by admin on Fri Dec 15 16:10:22 UTC 2023
PRIMARY
PUBCHEM
10439877
Created by admin on Fri Dec 15 16:10:22 UTC 2023 , Edited by admin on Fri Dec 15 16:10:22 UTC 2023
PRIMARY
ChEMBL
CHEMBL539697
Created by admin on Fri Dec 15 16:10:22 UTC 2023 , Edited by admin on Fri Dec 15 16:10:22 UTC 2023
PRIMARY
CHEBI
70743
Created by admin on Fri Dec 15 16:10:22 UTC 2023 , Edited by admin on Fri Dec 15 16:10:22 UTC 2023
PRIMARY
DAILYMED
SC7NUW5IIT
Created by admin on Fri Dec 15 16:10:22 UTC 2023 , Edited by admin on Fri Dec 15 16:10:22 UTC 2023
PRIMARY
MESH
C453962
Created by admin on Fri Dec 15 16:10:22 UTC 2023 , Edited by admin on Fri Dec 15 16:10:22 UTC 2023
PRIMARY
EVMPD
SUB27581
Created by admin on Fri Dec 15 16:10:22 UTC 2023 , Edited by admin on Fri Dec 15 16:10:22 UTC 2023
PRIMARY
RXCUI
1037041
Created by admin on Fri Dec 15 16:10:22 UTC 2023 , Edited by admin on Fri Dec 15 16:10:22 UTC 2023
PRIMARY RxNorm
NCI_THESAURUS
C90702
Created by admin on Fri Dec 15 16:10:22 UTC 2023 , Edited by admin on Fri Dec 15 16:10:22 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of DABIGATRAN
PARENT (SALT/SOLVATE)
Structure of DABIGATRAN ETEXILATE
NIH
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