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Details

Stereochemistry ACHIRAL
Molecular Formula C34H40N6O6
Molecular Weight 628.718
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 3-(2-{[(4-{[(hexyloxy)carbonyl]carbamoyl}phenyl)amino]methyl}-1-methyl-N-(pyridin-2-yl)-1H-benzimidazole-5-carboxamido)propanoate

SMILES

CCCCCCOC(=O)NC(=O)C1=CC=C(NCC2=NC3=CC(=CC=C3N2C)C(=O)N(CCC(=O)OCC)C4=NC=CC=C4)C=C1

InChI

InChIKey=FZKPGDBVPFJTPG-UHFFFAOYSA-N
InChI=1S/C34H40N6O6/c1-4-6-7-10-21-46-34(44)38-32(42)24-12-15-26(16-13-24)36-23-30-37-27-22-25(14-17-28(27)39(30)3)33(43)40(20-18-31(41)45-5-2)29-11-8-9-19-35-29/h8-9,11-17,19,22,36H,4-7,10,18,20-21,23H2,1-3H3,(H,38,42,44)

HIDE SMILES / InChI

Molecular Formula C34H40N6O6
Molecular Weight 628.718
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:42:47 GMT 2023
Edited
by admin
on Sat Dec 16 18:42:47 GMT 2023
Record UNII
HW3X7HP2ZR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl 3-(2-{[(4-{[(hexyloxy)carbonyl]carbamoyl}phenyl)amino]methyl}-1-methyl-N-(pyridin-2-yl)-1H-benzimidazole-5-carboxamido)propanoate
Systematic Name English
Dabigatran etexilate related compound A [USP]
Common Name English
ETHYL N-((2-(((4-((((HEXYLOXY)CARBONYL)AMINO)CARBONYL)PHENYL)AMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)-N-2-PYRIDINYL-.BETA.-ALANINE
Systematic Name English
DABIGATRAN IMPURITY 8
Common Name English
.BETA.-ALANINE, N-((2-(((4-((((HEXYLOXY)CARBONYL)AMINO)CARBONYL)PHENYL)AMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)-N-2-PYRIDINYL-, ETHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
HW3X7HP2ZR
Created by admin on Sat Dec 16 18:42:47 GMT 2023 , Edited by admin on Sat Dec 16 18:42:47 GMT 2023
PRIMARY
PUBCHEM
70968095
Created by admin on Sat Dec 16 18:42:47 GMT 2023 , Edited by admin on Sat Dec 16 18:42:47 GMT 2023
PRIMARY PUBCHEM
CAS
1408238-40-3
Created by admin on Sat Dec 16 18:42:47 GMT 2023 , Edited by admin on Sat Dec 16 18:42:47 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY