UNI-494 cation

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H27N4O6
Molecular Weight	395.4302
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](NC(=O)OC[N+]1=CC(=CC=C1)C(=O)NCCO[N+]([O-])=O)C2CCCCC2

InChI

InChIKey=ZOBPHEBQMUJJTK-AWEZNQCLSA-O

InChI=1S/C18H26N4O6/c1-14(15-6-3-2-4-7-15)20-18(24)27-13-21-10-5-8-16(12-21)17(23)19-9-11-28-22(25)26/h5,8,10,12,14-15H,2-4,6-7,9,11,13H2,1H3,(H-,19,20,23,24)/p+1/t14-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

UNI-494 cation

Common Name

English

UNI-494 FREE BASE

Preferred Name

English

(S)-1-((((1-Cyclohexylethyl)carbamoyl)oxy)methyl)-3-((2- nitrooxy)ethyl)carbamoyl)pyridin-1-ium

Systematic Name

English

[3-(2-Nitrooxyethylcarbamoyl)pyridin-1-ium-1-yl]methyl N-[(1S)-1-cyclohexylethyl]carbamate

Systematic Name

English

Pyridinium, 1-[[[[[(1S)-1-cyclohexylethyl]amino]carbonyl]oxy]methyl]-3-[[[2-(nitrooxy)ethyl]amino]carbonyl]-

Systematic Name

English

Code System Code Type Description

CAS

1402916-61-3

Created by admin on Wed Apr 02 19:04:03 GMT 2025 , Edited by admin on Wed Apr 02 19:04:03 GMT 2025

PRIMARY

PUBCHEM

90108861

Created by admin on Wed Apr 02 19:04:03 GMT 2025 , Edited by admin on Wed Apr 02 19:04:03 GMT 2025

PRIMARY

FDA UNII

T2FGT82HPZ

Created by admin on Wed Apr 02 19:04:03 GMT 2025 , Edited by admin on Wed Apr 02 19:04:03 GMT 2025

PRIMARY

ACTIVE MOIETY


					T2FGT82HPZ

UNI-494 cation

METABOLITE ACTIVE (PRODRUG)


					260456HAM0

NICORANDIL

SALT/SOLVATE (PARENT)


					8G3CQC3ETF

UNI-494