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Deferiprone
CAS: 30652-11-0 | C7H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
30652-11-0
Molecular Formula:
C7H9NO2
Molecular Weight:
139.154 g/mol
Names and Synonyms:
Deferiprone
Deferiprone
L 1
L 1 (chelating agent)
3-Hydroxy-1,2-dimethyl-4-pyridinone
CGP 37391
1,2-Dimethyl-3-hydroxy-4(1H)-pyridinone
1,2-Dimethyl-3-hydroxypyridin-4-one
1,2-Dimethyl-3-hydroxypyridine-4-one
Deferione
Ferriprox
3-Hydroxy-1,2-dimethyl-4(1H)-pyridone
PL 1
APO 66
DN 18001AF
Ferinil
3-Hydroxy-1,2-dimethyl-1,4-dihydropyridin-4-one
4(1H)-Pyridinone, 3-hydroxy-1,2-dimethyl-
4(1H)-Pyridone, 3-hydroxy-1,2-dimethyl-
3-Hydroxy-1,2-dimethyl-4(1H)-pyridinone
1,2-Dimethyl-3-hydroxy-4-pyridone
CP 20
CP 20 (chelating agent)
3-Hydroxy-1,2-dimethyl-4-pyridone
Identifiers:
SMILES:
Cc1c(O)c(=O)ccn1C
InChI:
InChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3
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 | 139.154 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 139.063328528 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 42.23 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.39931999999999984 | RDKit |
| cas-melting-point | 260-265 °C (decomp) None | Legacy Database |
| cas-name | Deferiprone None | Legacy Database |
| molecular_mass | 139.15 g/mol | Legacy Database |
| cas-canonical-smile | O=C1C=CN(C(=C1O)C)C None | Legacy Database |
| cas-inchi | InChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=TZXKOCQBRNJULO-UHFFFAOYSA-N None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.08480000000001 | RDKit |
