N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine methyl ester

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

Structure Search

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

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 `Sat Dec 16 18:32:37 GMT 2023` Edited by `admin` on `Sat Dec 16 18:32:37 GMT 2023`
Record UNII	5ZS946447U
Record Status	`Validated (UNII)`
Record Version

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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

Related Record Type Details


					SC7NUW5IIT

DABIGATRAN ETEXILATE MESYLATE

PARENT -> IMPURITY

Amount: