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Fuluobi
CAS: 54-31-9 | C12H11ClN2O5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
54-31-9
Molecular Formula:
C12H11ClN2O5S
Molecular Weight:
330.749 g/mol
Names and Synonyms:
Fuluobi
Synonym
Pharlab
Synonym
Neosemid
Synonym
Furosemide-Darnitsa
Synonym
Teuto
Synonym
Furosem
Synonym
Frusenex
Synonym
Desal
Synonym
NSC 269420
Synonym
Furosedon
Synonym
Rusyde
Synonym
Lowpston
Synonym
Profemin
Synonym
Discoid
Synonym
Mirfat
Synonym
Diuretic salt
Synonym
Disal
Synonym
Hydro-rapid
Synonym
Zafurida
Synonym
Yidoli
Synonym
Uridon
Synonym
Urian
Synonym
Urex M
Synonym
Uresix
Synonym
Durafurid
Synonym
Uremide
Synonym
Selectofur
Synonym
Salurid
Synonym
Salinex
Synonym
Retep
Synonym
Radisemide
Synonym
Promide
Synonym
Promedes
Synonym
Oedemex
Synonym
Odemex
Synonym
Odemase
Synonym
Nephron
Synonym
Nelsix
Synonym
Nadis
Synonym
Urenil
Synonym
Marsemide
Synonym
Liside
Synonym
Laxur
Synonym
Lasix Retard
Synonym
Lasiletten
Synonym
Lasemid
Synonym
Kutrix
Synonym
Kofuzon
Synonym
Impugan
Synonym
Hydro
Synonym
Hydrex
Synonym
Hissuflux
Synonym
Golan
Synonym
Furovite
Synonym
Furoter
Synonym
Furosix
Synonym
Furosan
Synonym
Furorese
Synonym
Furo-Puren
Synonym
Furomide M.D.
Synonym
Furomex
Synonym
Furomen
Synonym
Furodiurol
Synonym
Furocot
Synonym
Furo-Basan
Synonym
Frumide
Synonym
Furix
Synonym
Furex
Synonym
Furetic
Synonym
Furanturil
Synonym
Frusid
Synonym
Frusetic
Synonym
Frusema
Synonym
Frusedan
Synonym
Furmid
Synonym
Frumex
Synonym
Franyl
Synonym
Fluidrol
Synonym
Eutensin
Synonym
Aquasin
Synonym
Aquamide
Synonym
Dryptal
Synonym
Dranex
Synonym
Diusil
Synonym
Diusemide
Synonym
Diurolasa
Synonym
Diurin
Synonym
Diuresal
Synonym
Diural
Synonym
Disemide
Synonym
Dirine
Synonym
Bioretic
Synonym
Arasemide
Synonym
Aldic
Synonym
Naclex
Synonym
Aquarid
Synonym
Apo-Furosemide
Synonym
Apo-Frusemide
Synonym
Anfuramaide
Synonym
Aluzine
Synonym
2-Furfurylamino-4-chloro-5-sulfamoylbenzoic acid
Synonym
Radonna
Synonym
Furesis
Synonym
Furanthril
Synonym
Lasex
Synonym
Fusid
Synonym
Urex
Synonym
Furosemide
Synonym
Cetasix
Synonym
Benzoic acid, 5-(aminosulfonyl)-4-chloro-2-[(2-furanylmethyl)amino]-
Synonym
Anthranilic acid, 4-chloro-N-furfuryl-5-sulfamoyl-
Synonym
5-(Aminosulfonyl)-4-chloro-2-[(2-furanylmethyl)amino]benzoic acid
Synonym
LB 502
Synonym
4-Chloro-N-furfuryl-5-sulfamoylanthranilic acid
Synonym
4-Chloro-N-(2-furylmethyl)-5-sulfamoylanthranilic acid
Synonym
Furosemid
Synonym
Furosemide
Synonym
Lasix
Synonym
Frusemide
Synonym
Furanthryl
Synonym
Trofurit
Synonym
5-(Aminosulfamyl)-4-chloro-2-[(2-furanylmethyl)amino]benzoic acid
Synonym
Aisemide
Synonym
Beronald
Synonym
Desdemin
Synonym
Errolon
Synonym
Frusemin
Synonym
Fulsix
Synonym
Fuluvamide
Synonym
Katlex
Synonym
Lasilix
Synonym
Lowpstron
Synonym
Macasirool
Synonym
Prefemin
Synonym
Nicorol
Synonym
Rosemide
Synonym
Transit
Synonym
Furantril
Synonym
Seguril
Synonym
Salix
Synonym
Identifiers:
SMILES:
NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl
InChI:
InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 330.75 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)C1=CC(=C(Cl)C=C1NCC=2OC=CC2)S(=O)(=O)N None | Legacy Database |
| cas-inchi | InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19) None | Legacy Database |
| cas-inchi-key | InChIKey=ZZUFCTLCJUWOSV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 206 °C None | Legacy Database |
| cas-name | Furosemide None | Legacy Database |
| LogP | 1.8907 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 330.749 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 330.00772013200003 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 21 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 122.63000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 75.81920000000002 | RDKit |