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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H27N4O6.I
Molecular Weight 522.3347
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UNI-494

SMILES

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

InChI

InChIKey=RGWIXDORHYGDPR-UQKRIMTDSA-N
InChI=1S/C18H26N4O6.HI/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);1H/t14-;/m0./s1

HIDE SMILES / InChI

Molecular Formula I
Molecular Weight 126.90447
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H27N4O6
Molecular Weight 395.4302
Charge 1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:47:36 GMT 2025
Edited
by admin
on Wed Apr 02 19:47:36 GMT 2025
Record UNII
8G3CQC3ETF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-1-((((1-Cyclohexylethyl)carbamoyl)oxy)methyl)-3-((2- nitrooxy)ethyl)carbamoyl)pyridin-1-ium iodide
Preferred Name English
UNI-494
Common Name English
Pyridinium, 1-[[[[[(1S)-1-cyclohexylethyl]amino]carbonyl]oxy]methyl]-3-[[[2-(nitrooxy)ethyl]amino]carbonyl]-, iodide
Systematic Name English
Code System Code Type Description
FDA UNII
8G3CQC3ETF
Created by admin on Wed Apr 02 19:47:36 GMT 2025 , Edited by admin on Wed Apr 02 19:47:36 GMT 2025
PRIMARY
CAS
2489587-95-1
Created by admin on Wed Apr 02 19:47:36 GMT 2025 , Edited by admin on Wed Apr 02 19:47:36 GMT 2025
PRIMARY
PUBCHEM
155128385
Created by admin on Wed Apr 02 19:47:36 GMT 2025 , Edited by admin on Wed Apr 02 19:47:36 GMT 2025
PRIMARY
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