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Details

Stereochemistry ACHIRAL
Molecular Formula C17H19N3O6S
Molecular Weight 393.414
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-bumetanide

SMILES

CCCCN(N=O)C1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O

InChI

InChIKey=PYLMCQWIQTYALH-UHFFFAOYSA-N
InChI=1S/C17H19N3O6S/c1-2-3-9-20(19-23)14-10-12(17(21)22)11-15(27(18,24)25)16(14)26-13-7-5-4-6-8-13/h4-8,10-11H,2-3,9H2,1H3,(H,21,22)(H2,18,24,25)

HIDE SMILES / InChI

Molecular Formula C17H19N3O6S
Molecular Weight 393.414
Charge 0
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 Wed Apr 02 18:39:56 GMT 2025
Edited
by admin
on Wed Apr 02 18:39:56 GMT 2025
Record UNII
29TM93G4RD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-nitroso-bumetanide
Common Name English
Benzoic acid, 3-(aminosulfonyl)-5-(butylnitrosoamino)-4-phenoxy-
Preferred Name English
3-(Aminosulfonyl)-5-(butylnitrosoamino)-4-phenoxybenzoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
29TM93G4RD
Created by admin on Wed Apr 02 18:39:56 GMT 2025 , Edited by admin on Wed Apr 02 18:39:56 GMT 2025
PRIMARY
PUBCHEM
155970256
Created by admin on Wed Apr 02 18:39:56 GMT 2025 , Edited by admin on Wed Apr 02 18:39:56 GMT 2025
PRIMARY
CAS
2490432-02-3
Created by admin on Wed Apr 02 18:39:56 GMT 2025 , Edited by admin on Wed Apr 02 18:39:56 GMT 2025
PRIMARY