U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H9N4O5.Cl
Molecular Weight 324.677
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-CARBAMYL-1-(2,4-DINITROPHENYL)PYRIDINIUM CHLORIDE

SMILES

[Cl-].NC(=O)C1=CC=C[N+](=C1)C2=CC=C(C=C2[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=RGQXHAWMLUYSTD-UHFFFAOYSA-N
InChI=1S/C12H8N4O5.ClH/c13-12(17)8-2-1-5-14(7-8)10-4-3-9(15(18)19)6-11(10)16(20)21;/h1-7H,(H-,13,17);1H

HIDE SMILES / InChI

Molecular Formula Cl
Molecular Weight 35.453
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H9N4O5
Molecular Weight 289.2237
Charge 1
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 15:27:09 GMT 2023
Edited
by admin
on Sat Dec 16 15:27:09 GMT 2023
Record UNII
69VXZ335P6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-CARBAMYL-1-(2,4-DINITROPHENYL)PYRIDINIUM CHLORIDE
Systematic Name English
PYRIDINIUM, 3-(AMINOCARBONYL)-1-(2,4-DINITROPHENYL)-, CHLORIDE (1:1)
Systematic Name English
ZINCKE REAGENT
Common Name English
Code System Code Type Description
PUBCHEM
12791787
Created by admin on Sat Dec 16 15:27:09 GMT 2023 , Edited by admin on Sat Dec 16 15:27:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID00509982
Created by admin on Sat Dec 16 15:27:09 GMT 2023 , Edited by admin on Sat Dec 16 15:27:09 GMT 2023
PRIMARY
FDA UNII
69VXZ335P6
Created by admin on Sat Dec 16 15:27:09 GMT 2023 , Edited by admin on Sat Dec 16 15:27:09 GMT 2023
PRIMARY
CAS
53406-00-1
Created by admin on Sat Dec 16 15:27:09 GMT 2023 , Edited by admin on Sat Dec 16 15:27:09 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE