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

Details

Stereochemistry RACEMIC
Molecular Formula C11H16N2O6
Molecular Weight 272.2545
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HC ORANGE NO. 3

SMILES

OCCNC1=CC=C(OCC(O)CO)C=C1[N+]([O-])=O

InChI

InChIKey=SZWQTBKBBNGUAB-UHFFFAOYSA-N
InChI=1S/C11H16N2O6/c14-4-3-12-10-2-1-9(5-11(10)13(17)18)19-7-8(16)6-15/h1-2,5,8,12,14-16H,3-4,6-7H2

HIDE SMILES / InChI

Molecular Formula C11H16N2O6
Molecular Weight 272.2545
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:26:33 GMT 2023
Edited
by admin
on Sat Dec 16 01:26:33 GMT 2023
Record UNII
428754S94Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HC ORANGE NO. 3
INCI  
INCI  
Official Name English
IMEXINE FAC
Brand Name English
(±)-HC ORANGE NO. 3
Common Name English
HC ORANGE NO. 3 [INCI]
Common Name English
HC ORANGE 3
Common Name English
1,2-PROPANEDIOL, 3-(4-((2-HYDROXYETHYL)AMINO)-3-NITROPHENOXY)-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C461
Created by admin on Sat Dec 16 01:26:33 GMT 2023 , Edited by admin on Sat Dec 16 01:26:33 GMT 2023
Code System Code Type Description
PUBCHEM
21909542
Created by admin on Sat Dec 16 01:26:33 GMT 2023 , Edited by admin on Sat Dec 16 01:26:33 GMT 2023
PRIMARY
NCI_THESAURUS
C99806
Created by admin on Sat Dec 16 01:26:33 GMT 2023 , Edited by admin on Sat Dec 16 01:26:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID60879799
Created by admin on Sat Dec 16 01:26:33 GMT 2023 , Edited by admin on Sat Dec 16 01:26:33 GMT 2023
PRIMARY
CAS
81612-54-6
Created by admin on Sat Dec 16 01:26:33 GMT 2023 , Edited by admin on Sat Dec 16 01:26:33 GMT 2023
PRIMARY
FDA UNII
428754S94Z
Created by admin on Sat Dec 16 01:26:33 GMT 2023 , Edited by admin on Sat Dec 16 01:26:33 GMT 2023
PRIMARY