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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-?-alanine methyl ester

SMILES

CCCCCCOC(=O)NC(=N)C1=CC=C(NCC2=NC3=C(C=CC(=C3)C(=O)N(CCC(=O)OC)C4=CC=CC=N4)N2C)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

Molecular Formula C33H39N7O5
Molecular Weight 613.7067
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 Wed Apr 02 11:28:15 GMT 2025
Edited
by admin
on Wed Apr 02 11:28:15 GMT 2025
Record UNII
5ZS946447U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DABIGATRAN ETEXILATE IMPURITY H
Preferred Name English
N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-?-alanine methyl ester
Systematic Name English
?-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 Wed Apr 02 11:28:15 GMT 2025 , Edited by admin on Wed Apr 02 11:28:15 GMT 2025
PRIMARY
PUBCHEM
18412359
Created by admin on Wed Apr 02 11:28:15 GMT 2025 , Edited by admin on Wed Apr 02 11:28:15 GMT 2025
PRIMARY
CAS
211915-00-3
Created by admin on Wed Apr 02 11:28:15 GMT 2025 , Edited by admin on Wed Apr 02 11:28:15 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY