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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H16N5O3.I
Molecular Weight 393.1809
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NBD-TMA iodide

SMILES

[I-].C[N+](C)(C)CCNC1=CC=C(C2=NON=C12)[N+]([O-])=O

InChI

InChIKey=QJAUPBROTDZNOO-UHFFFAOYSA-M
InChI=1S/C11H16N5O3.HI/c1-16(2,3)7-6-12-8-4-5-9(15(17)18)11-10(8)13-19-14-11;/h4-5,12H,6-7H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula I
Molecular Weight 126.9045
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H16N5O3
Molecular Weight 266.2764
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 19:35:41 GMT 2023
Edited
by admin
on Sat Dec 16 19:35:41 GMT 2023
Record UNII
N3G5GG4HUM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NBD-TMA iodide
Common Name English
N,N,N-Trimethyl-2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethanaminium iodide
Systematic Name English
Code System Code Type Description
FDA UNII
N3G5GG4HUM
Created by admin on Sat Dec 16 19:35:41 GMT 2023 , Edited by admin on Sat Dec 16 19:35:41 GMT 2023
PRIMARY
PUBCHEM
155293669
Created by admin on Sat Dec 16 19:35:41 GMT 2023 , Edited by admin on Sat Dec 16 19:35:41 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE