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Details

Stereochemistry ACHIRAL
Molecular Formula C33H39N7O5
Molecular Weight 613.7067
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
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

SMILES

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

InChI

InChIKey=JYCBMCKZNSEICQ-UHFFFAOYSA-N
InChI=1S/C33H39N7O5/c1-4-5-6-9-20-45-33(43)38-31(34)23-11-14-25(15-12-23)36-22-29-37-26-21-24(13-16-27(26)39(29)2)32(42)40(19-17-30(41)44-3)28-10-7-8-18-35-28/h7-8,10-16,18,21,36H,4-6,9,17,19-20,22H2,1-3H3,(H2,34,38,43)

HIDE SMILES / InChI

Approval Year

Name Type Language
N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine methyl ester
Systematic Name English
DABIGATRAN ETEXILATE IMPURITY H
Common Name English
β-Alanine, N-[[2-[[[4-[[[(hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, methyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
5ZS946447U
Created by admin on Sat Dec 16 18:32:37 GMT 2023 , Edited by admin on Sat Dec 16 18:32:37 GMT 2023
PRIMARY
PUBCHEM
18412359
Created by admin on Sat Dec 16 18:32:37 GMT 2023 , Edited by admin on Sat Dec 16 18:32:37 GMT 2023
PRIMARY
CAS
211915-00-3
Created by admin on Sat Dec 16 18:32:37 GMT 2023 , Edited by admin on Sat Dec 16 18:32:37 GMT 2023
PRIMARY