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| CAS No.: | 74536-44-0 |
|---|---|
| Name: | Metadoxine |
| Molecular Structure: | |
 |
|
| Formula: | C8H11NO3.C5H7NO3 |
| Molecular Weight: | 298.29 |
| Synonyms: | 5-Oxo-L-proline, compound with 5-hydroxy-6-methylpyridine-3,4-dimethanol (1:1);Metadoxil;Metadoxin;L-Proline, 5-oxo-, compd. with 5-hydroxy-6-methylpyridine-3,4-dimethanol (1:1);4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; (2S)-5-oxopyrrolidine-2-carboxylic acid;Metadoxine ( Pyridoxine Pyroglutamate ); |
| EINECS: | 277-913-8 |
| Melting Point: | 102-104 °C |
| Boiling Point: | 491.9 °C at 760 mmHg |
| Flash Point: | 251.3 °C |
| Appearance: | off-white powder |
| PSA: | 139.98000 |
| LogP: | -0.24140 |
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Chemistry
Molecule structure of Metadoxine (CAS NO.74536-44-0):
IUPAC Name: 4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol;(2S)-5-oxopyrrolidine-2-carboxylic acid
Molecular Weight: 298.29182 g/mol
Molecular Formula: C13H18N2O6
Melting Point: 102-104 °C
Flash Point: 251.3 °C
Enthalpy of Vaporization: 79.91 kJ/mol
Boiling Point: 491.9 °C at 760 mmHg
Vapour Pressure: 1.71E-10 mmHg at 25 °C
H-Bond Donor: 5
H-Bond Acceptor: 7
Rotatable Bond Count: 3
Tautomer Count: 9
Exact Mass: 298.116486
MonoIsotopic Mass: 298.116486
Topological Polar Surface Area: 140
Heavy Atom Count: 21
Canonical SMILES: CC1=NC=C(C(=C1O)CO)CO.C1CC(=O)NC1C(=O)O
Isomeric SMILES: CC1=NC=C(C(=C1O)CO)CO.C1CC(=O)N[C@@H]1C(=O)O
InChI: InChI=1S/C8H11NO3.C5H7NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5;7-4-2-1-3(6-4)5(8)9/h2,10-12H,3-4H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)/t;3-/m.0/s1
InChIKey: RYKKQQUKJJGFMN-HVDRVSQOSA-N
EINECS: 277-913-8
Product Categories: Aromatics Compounds;Aromatics;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals
Uses
Metadoxine (CAS NO.74536-44-0) is used for treating patients for liver functional disorders in performing stomatologic interventions and in treatment of acute and chronic alcoholism.
Specification
Metadoxine (CAS NO.74536-44-0) is also named as Pyridoxine mixture with Pyrrolidonecarboxylic Acid ; 5-Oxo-L-proline, compound with 5-hydroxy-6-methylpyridine-3,4-dimethanol (1:1) ; L-Proline, 5-oxo-, compd. with 5-hydroxy-6-methylpyridine-3,4-dimethanol (1:1) . Metadoxine (CAS NO.74536-44-0) is off-white powder.