N-nitroso-dabigatran etexilate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H40N8O6
Molecular Weight	656.7314
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-nitroso-dabigatran etexilate

Structure Search

SMILES

CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)N(CC2=NC3=CC(=CC=C3N2C)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)N=O

InChI

InChIKey=JPLPQAOOSCQYBH-UHFFFAOYSA-N

InChI=1S/C34H40N8O6/c1-4-6-7-10-21-48-34(45)38-32(35)24-12-15-26(16-13-24)42(39-46)23-30-37-27-22-25(14-17-28(27)40(30)3)33(44)41(20-18-31(43)47-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,38,45)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

N-nitroso-dabigatran etexilate

Common Name

English

β-Alanine, N-[[2-[[[4-[[[(hexyloxy)carbonyl]amino]iminomethyl]phenyl]nitrosoamino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

168444970

Created by admin on Sat Dec 16 20:07:32 UTC 2023 , Edited by admin on Sat Dec 16 20:07:32 UTC 2023

PRIMARY

FDA UNII

QSX2RCN2EN

Created by admin on Sat Dec 16 20:07:32 UTC 2023 , Edited by admin on Sat Dec 16 20:07:32 UTC 2023

PRIMARY

CAS

2892260-29-4

Created by admin on Sat Dec 16 20:07:32 UTC 2023 , Edited by admin on Sat Dec 16 20:07:32 UTC 2023

PRIMARY

SUBSTANCE RECORD


					QSX2RCN2EN

N-nitroso-dabigatran etexilate