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

Details

Stereochemistry RACEMIC
Molecular Formula C18H22N2O4
Molecular Weight 330.3783
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-dobutamine

SMILES

CC(CCC1=CC=C(O)C=C1)N(CCC2=CC=C(O)C(O)=C2)N=O

InChI

InChIKey=NQRXVRKDRWZQRV-UHFFFAOYSA-N
InChI=1S/C18H22N2O4/c1-13(2-3-14-4-7-16(21)8-5-14)20(19-24)11-10-15-6-9-17(22)18(23)12-15/h4-9,12-13,21-23H,2-3,10-11H2,1H3

HIDE SMILES / InChI

Molecular Formula C18H22N2O4
Molecular Weight 330.3783
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:34:05 GMT 2025
Edited
by admin
on Wed Apr 02 18:34:05 GMT 2025
Record UNII
HJQ3CPN29S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-nitroso-dobutamine
Preferred Name English
Code System Code Type Description
FDA UNII
HJQ3CPN29S
Created by admin on Wed Apr 02 18:34:05 GMT 2025 , Edited by admin on Wed Apr 02 18:34:05 GMT 2025
PRIMARY
PUBCHEM
171390088
Created by admin on Wed Apr 02 18:34:05 GMT 2025 , Edited by admin on Wed Apr 02 18:34:05 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY