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Innoxalomn
CAS: 389-08-2 | C12H12N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
389-08-2
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.23899999999998 g/mol
Names and Synonyms:
Innoxalomn
Synonym
Eucistin
Synonym
Poleon
Synonym
NSC 82174
Synonym
Uralgin
Synonym
Uroneg
Synonym
Urodixin
Synonym
Dixiben
Synonym
Uriben
Synonym
Cybis
Synonym
Narigix
Synonym
Uropan
Synonym
Uroman
Synonym
Nalidram
Synonym
Nalidixic Acid
Synonym
1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-7-methyl-4-oxo-
Synonym
1-Ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Synonym
Win 18320
Synonym
3-Carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one
Synonym
1,4-Dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Synonym
1-Ethyl-7-methyl-1,8-naphthyridin-4-one-3-carboxylic acid
Synonym
1-Ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Synonym
Nalidic acid
Synonym
Nalidixic acid
Synonym
Nalidixin
Synonym
Urisal
Synonym
Wintomylon
Synonym
NegGram
Synonym
Nogram
Synonym
Nevigramon
Synonym
Nalidixan
Synonym
Nalidixinic acid
Synonym
Nalix
Synonym
Nalurin
Synonym
Naxuril
Synonym
Nacid
Synonym
Nelidix
Synonym
Specifin
Synonym
Nalidicron
Synonym
Betaxina
Synonym
Nalitucsan
Synonym
Uriclar
Synonym
Nicelate
Synonym
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid
Synonym
Identifiers:
SMILES:
CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21
InChI:
InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 232.23899999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 232.084792244 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 17 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 72.19 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.4230200000000002 | RDKit |
| molecular_mass | 232.24 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)C1=CN(C2=NC(=CC=C2C1=O)C)CC None | Legacy Database |
| cas-inchi | InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17) None | Legacy Database |
| cas-inchi-key | InChIKey=MHWLWQUZZRMNGJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 229-230 °C None | Legacy Database |
| cas-name | Nalidixic acid None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 63.37330000000001 | RDKit |