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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H14N4O8
Molecular Weight 342.2616
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-NBDG

SMILES

OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](NC1=CC=C(C2=NON=C12)[N+]([O-])=O)C=O

InChI

InChIKey=QUTFFEUUGHUPQC-ILWYWAAHSA-N
InChI=1S/C12H14N4O8/c17-3-6(11(20)12(21)8(19)4-18)13-5-1-2-7(16(22)23)10-9(5)14-24-15-10/h1-3,6,8,11-13,18-21H,4H2/t6-,8+,11+,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H14N4O8
Molecular Weight 342.2616
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:10:35 GMT 2023
Edited
by admin
on Sat Dec 16 12:10:35 GMT 2023
Record UNII
JE4F4P486R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-NBDG
Common Name English
2-DEOXY-2-((7-NITRO-2,1,3-BENZOXADIAZOL-4-YL)AMINO)-D-GLUCOSE
Systematic Name English
Code System Code Type Description
CAS
186689-07-6
Created by admin on Sat Dec 16 12:10:35 GMT 2023 , Edited by admin on Sat Dec 16 12:10:35 GMT 2023
PRIMARY
WIKIPEDIA
2-NBDG
Created by admin on Sat Dec 16 12:10:35 GMT 2023 , Edited by admin on Sat Dec 16 12:10:35 GMT 2023
PRIMARY
FDA UNII
JE4F4P486R
Created by admin on Sat Dec 16 12:10:35 GMT 2023 , Edited by admin on Sat Dec 16 12:10:35 GMT 2023
PRIMARY
PUBCHEM
6711157
Created by admin on Sat Dec 16 12:10:35 GMT 2023 , Edited by admin on Sat Dec 16 12:10:35 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY