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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
Molecular Formula C34H41N7O5
Molecular Weight 627.7332
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula CH4O3S
Molecular Weight 96.106
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:10:22 UTC 2023
Edited
by admin
on Fri Dec 15 16:10:22 UTC 2023
Record UNII
SC7NUW5IIT
Record Status Validated (UNII)
Record Version
  • Download
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
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Structure of DABIGATRAN ETEXILATE
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IMPURITY -> PARENT
Structure of ETHYL 2-(((4-(N-((HEXYLOXY)CARBONYL)CARBAMIMIDOYL)PHENYL)AMINO)METHYL)-1-METHYL-1H-BENZO(D)IMIDAZOLE-5-CARBOXYLATE
IMPURITY -> PARENT
Structure of Ethyl (Z)-3-(2-(((4-(N'-((heptyloxy)carbonyl)carbamimidoyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
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IMPURITY -> PARENT
Structure of 3-[[3-Amino-4-(methylamino)benzoyl]-pyridin-2-ylamino]propanoic acid
IMPURITY -> PARENT
Structure of Ethyl 3-(pyridin-2-ylamino)propanoate
IMPURITY -> PARENT
Structure of Dabigatran etexilate isopropyl ester
IMPURITY -> PARENT
Structure of Ethyl 3-[3-amino-4-(methylamino)-N-(pyridin-2-yl)benzoylamino]propanoate
IMPURITY -> PARENT
Structure of Methyl 3-[[3-amino-4-(methylamino)benzoyl]-pyridin-2-ylamino]propanoate
IMPURITY -> PARENT
Structure of N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine methyl ester
IMPURITY -> PARENT
Structure of .BETA.-ALANINE, N-((2-(((4-((((HEXYLOXY)CARBONYL)AMINO)IMINOMETHYL)PHENYL)AMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)-N-2-PYRIDINYL-, PROPYL ESTER
IMPURITY -> PARENT
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IMPURITY -> PARENT
Structure of N-Methyl-4-(methylamino)-3-nitrobenzamide
IMPURITY -> PARENT
Structure of Ethyl (Z)-3-(1-methyl-2-(((4-(N'-((pentyloxy)carbonyl)carbamimidoyl)phenyl)amino)methyl)-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
IMPURITY -> PARENT
Structure of 2-Heptyl chloroformate
IMPURITY -> PARENT
Structure of 4-(Methylamino)-3-nitrobenzoic acid
IMPURITY -> PARENT
Structure of N-(4-Cyanophenyl)glycine
IMPURITY -> PARENT
Structure of N-[[2-[[[4-[Imino[[[(1-methylhexyl)oxy]carbonyl]amino]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine ethyl ester
IMPURITY -> PARENT
Structure of 3-Methylpentyl Chloroformate
IMPURITY -> PARENT
Structure of Ethyl 3-(3-(2-((4-cyanophenyl)amino)acetamido)-4-(methylamino)-N-(pyridin-2-yl)benzamido)propanoate
IMPURITY -> PARENT
Structure of 2-Ethylbutyl chloroformate
IMPURITY -> PARENT
Structure of Heptyl chloroformate
IMPURITY -> PARENT
Structure of Ethyl 3-(2-{[(4-{[(hexyloxy)carbonyl]carbamoyl}phenyl)amino]methyl}-1-methyl-N-(pyridin-2-yl)-1H-benzimidazole-5-carboxamido)propanoate
IMPURITY -> PARENT
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IMPURITY -> PARENT
Structure of N-nitroso-dabigatran etexilate
IMPURITY -> PARENT
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IMPURITY -> PARENT
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IMPURITY -> PARENT
Structure of N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine methyl ester
IMPURITY -> PARENT
Structure of 3-Hexyl chloroformate
IMPURITY -> PARENT
Structure of 3-Amino-4-(methylamino)benzoic acid
IMPURITY -> PARENT
Structure of Methyl 3-(2-(((4-cyanophenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
IMPURITY -> PARENT
Structure of N-((2-(((4-((((HEXYLOXY)CARBONYL)AMINO)CARBONYL)PHENYL)AMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)-N-2-PYRIDINYL-.BETA.-ALANINE
IMPURITY -> PARENT
Structure of N-(4-Cyanophenyl)-N'-2-pyridinylethanediamide
IMPURITY -> PARENT
Related Record Type Details
Structure of DABIGATRAN
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