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Details

Stereochemistry ACHIRAL
Molecular Formula C34H41N7O5
Molecular Weight 627.7332
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DABIGATRAN ETEXILATE

SMILES

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=KSGXQBZTULBEEQ-UHFFFAOYSA-N
InChI=1S/C34H41N7O5/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/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)

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

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:30:14 UTC 2023
Edited
by admin
on Fri Dec 15 16:30:14 UTC 2023
Record UNII
2E18WX195X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DABIGATRAN ETEXILATE
INN   MART.   MI   USAN   VANDF   WHO-DD  
USAN   INN  
Official Name English
DABIGATRAN ETEXILATE [MART.]
Common Name English
BIBR-1048
Code English
DABIGATRAN ETEXILATE [VANDF]
Common Name English
PRADAXA (DABIGATRAN ETEXILATE)
Common Name English
dabigatran etexilate [INN]
Common Name English
BIBR1048
Code English
ETHYL 3-(((2-(((4-((((HEXYLOXY)CARBONYL)AMINO)IMINOMETHYL)PHENYL)AMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)(PYRIDIN-2-YL)AMINO)PROPANOATE
Systematic Name English
Dabigatran etexilate [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
Common Name English
BIBR 1048 BS RS1
Code English
PRAZAXA
Brand Name English
PRADAXA
Brand Name English
DABIGATRAN ETEXILATE METHANESULFONATE [JAN]
Common Name English
DABIGATRAN ETEXILATE [MI]
Common Name English
DABIGATRAN ETEXILATE [USAN]
Common Name English
BIBR-1048-BS-RS1
Code English
Ethyl 3-{[(2-{[(4-{[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl](pyridin-2-yl)amino}propanoate
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C263
Created by admin on Fri Dec 15 16:30:15 UTC 2023 , Edited by admin on Fri Dec 15 16:30:15 UTC 2023
WHO-VATC QB01AE07
Created by admin on Fri Dec 15 16:30:15 UTC 2023 , Edited by admin on Fri Dec 15 16:30:15 UTC 2023
WHO-ATC B01AE07
Created by admin on Fri Dec 15 16:30:15 UTC 2023 , Edited by admin on Fri Dec 15 16:30:15 UTC 2023
Code System Code Type Description
CHEBI
70743
Created by admin on Fri Dec 15 16:30:15 UTC 2023 , Edited by admin on Fri Dec 15 16:30:15 UTC 2023
PRIMARY
DAILYMED
2E18WX195X
Created by admin on Fri Dec 15 16:30:15 UTC 2023 , Edited by admin on Fri Dec 15 16:30:15 UTC 2023
PRIMARY
DRUG BANK
DB06695
Created by admin on Fri Dec 15 16:30:15 UTC 2023 , Edited by admin on Fri Dec 15 16:30:15 UTC 2023
PRIMARY
PUBCHEM
213023
Created by admin on Fri Dec 15 16:30:15 UTC 2023 , Edited by admin on Fri Dec 15 16:30:15 UTC 2023
PRIMARY
EVMPD
SUB20521
Created by admin on Fri Dec 15 16:30:15 UTC 2023 , Edited by admin on Fri Dec 15 16:30:15 UTC 2023
PRIMARY
CAS
211915-06-9
Created by admin on Fri Dec 15 16:30:15 UTC 2023 , Edited by admin on Fri Dec 15 16:30:15 UTC 2023
PRIMARY
MERCK INDEX
m4064
Created by admin on Fri Dec 15 16:30:15 UTC 2023 , Edited by admin on Fri Dec 15 16:30:15 UTC 2023
PRIMARY Merck Index
SMS_ID
100000089553
Created by admin on Fri Dec 15 16:30:15 UTC 2023 , Edited by admin on Fri Dec 15 16:30:15 UTC 2023
PRIMARY
RXCUI
1037042
Created by admin on Fri Dec 15 16:30:15 UTC 2023 , Edited by admin on Fri Dec 15 16:30:15 UTC 2023
PRIMARY RxNorm
DRUG CENTRAL
776
Created by admin on Fri Dec 15 16:30:15 UTC 2023 , Edited by admin on Fri Dec 15 16:30:15 UTC 2023
PRIMARY
ChEMBL
CHEMBL539697
Created by admin on Fri Dec 15 16:30:15 UTC 2023 , Edited by admin on Fri Dec 15 16:30:15 UTC 2023
PRIMARY
USAN
UU-126
Created by admin on Fri Dec 15 16:30:15 UTC 2023 , Edited by admin on Fri Dec 15 16:30:15 UTC 2023
PRIMARY
EPA CompTox
DTXSID4057681
Created by admin on Fri Dec 15 16:30:15 UTC 2023 , Edited by admin on Fri Dec 15 16:30:15 UTC 2023
PRIMARY
INN
8028
Created by admin on Fri Dec 15 16:30:15 UTC 2023 , Edited by admin on Fri Dec 15 16:30:15 UTC 2023
PRIMARY
NCI_THESAURUS
C87480
Created by admin on Fri Dec 15 16:30:15 UTC 2023 , Edited by admin on Fri Dec 15 16:30:15 UTC 2023
PRIMARY
CHEBI
70746
Created by admin on Fri Dec 15 16:30:15 UTC 2023 , Edited by admin on Fri Dec 15 16:30:15 UTC 2023
PRIMARY
IUPHAR
6379
Created by admin on Fri Dec 15 16:30:15 UTC 2023 , Edited by admin on Fri Dec 15 16:30:15 UTC 2023
PRIMARY
FDA UNII
2E18WX195X
Created by admin on Fri Dec 15 16:30:15 UTC 2023 , Edited by admin on Fri Dec 15 16:30:15 UTC 2023
PRIMARY
Related Record Type Details
MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> SUBSTRATE
Structure of DABIGATRAN ETEXILATE MESYLATE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of DABIGATRAN
METABOLITE ACTIVE -> PRODRUG
Structure of .BETA.-ALANINE, N-((1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)-N-2-PYRIDINYL-
METABOLITE -> PARENT
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
URINE
Structure of .BETA.-ALANINE, N-((2-(HYDROXYMETHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)-N-2-PYRIDINYL-
METABOLITE -> PARENT
URINE
Structure of 1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID, 5-(((2-CARBOXYETHYL)-2-PYRIDINYLAMINO)CARBONYL)-1-METHYL-
METABOLITE -> PARENT
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
FECAL
Structure of DABIGATRAN 1-ACYLGLUCURONIDE
METABOLITE ACTIVE -> PARENT
Structure of 1H-BENZIMIDAZOLE-5-CARBOXAMIDE, 2-(((4-(AMINOIMINOMETHYL)PHENYL)AMINO)METHYL)-1-METHYL-N-2-PYRIDINYL-
METABOLITE -> PARENT
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
FECAL
Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-(2-(((4-(AMINOIMINOMETHYL)PHENYL)AMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOLE-5-CARBOXYLATE)
METABOLITE -> PARENT
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
TRACE AMOUNT
PLASMA; URINE
Structure of 1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID, 2-(((4-(AMINOIMINOMETHYL)PHENYL)AMINO)METHYL)-1-METHYL-
METABOLITE -> PARENT
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
FECAL
Structure of .BETA.-ALANINE, N-((2-(AMINOMETHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)-N-2-PYRIDINYL-
METABOLITE -> PARENT
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
TRACE AMOUNT
URINE
Structure of .BETA.-ALANINE, N-((2-((ACETYLAMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)-N-2-PYRIDINYL-
METABOLITE -> PARENT
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
TRACE AMOUNT
PLASMA
Related Record Type Details
Structure of DABIGATRAN
ACTIVE MOIETY
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