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Details

Stereochemistry ACHIRAL
Molecular Formula C32H36N6O6
Molecular Weight 600.6648
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-((2-(((4-((((HEXYLOXY)CARBONYL)AMINO)CARBONYL)PHENYL)AMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)-N-2-PYRIDINYL-.BETA.-ALANINE

SMILES

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

InChI

InChIKey=GYSMJNALQPNLBO-UHFFFAOYSA-N
InChI=1S/C32H36N6O6/c1-3-4-5-8-19-44-32(43)36-30(41)22-10-13-24(14-11-22)34-21-28-35-25-20-23(12-15-26(25)37(28)2)31(42)38(18-16-29(39)40)27-9-6-7-17-33-27/h6-7,9-15,17,20,34H,3-5,8,16,18-19,21H2,1-2H3,(H,39,40)(H,36,41,43)

HIDE SMILES / InChI

Molecular Formula C32H36N6O6
Molecular Weight 600.6648
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 18:31:47 GMT 2023
Edited
by admin
on Sat Dec 16 18:31:47 GMT 2023
Record UNII
4C89S36UVN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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 P
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-
Systematic Name English
Code System Code Type Description
PUBCHEM
70984799
Created by admin on Sat Dec 16 18:31:47 GMT 2023 , Edited by admin on Sat Dec 16 18:31:47 GMT 2023
PRIMARY
CAS
1408238-37-8
Created by admin on Sat Dec 16 18:31:47 GMT 2023 , Edited by admin on Sat Dec 16 18:31:47 GMT 2023
PRIMARY
FDA UNII
4C89S36UVN
Created by admin on Sat Dec 16 18:31:47 GMT 2023 , Edited by admin on Sat Dec 16 18:31:47 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY