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Chemistry

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Also known as: 74536-44-0, Metasin, Metadoxil, Metadoxin, Ejq7m98h5j, (2s)-5-oxopyrrolidine-2-carboxylic acid; 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
Molecular Formula
C13H18N2O6
Molecular Weight
298.29  g/mol
InChI Key
RYKKQQUKJJGFMN-HVDRVSQOSA-N
FDA UNII
EJQ7M98H5J

Metadoxine
1 2D Structure

Metadoxine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;(2S)-5-oxopyrrolidine-2-carboxylic acid
2.1.2 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
2.1.3 InChI Key
RYKKQQUKJJGFMN-HVDRVSQOSA-N
2.1.4 Canonical SMILES
CC1=NC=C(C(=C1O)CO)CO.C1CC(=O)NC1C(=O)O
2.1.5 Isomeric SMILES
CC1=NC=C(C(=C1O)CO)CO.C1CC(=O)N[C@@H]1C(=O)O
2.2 Other Identifiers
2.2.1 UNII
EJQ7M98H5J
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Metadoxil

2. Metadoxyl

2.3.2 Depositor-Supplied Synonyms

1. 74536-44-0

2. Metasin

3. Metadoxil

4. Metadoxin

5. Ejq7m98h5j

6. (2s)-5-oxopyrrolidine-2-carboxylic Acid; 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol

7. (5-hydroxy-6-methylpyridine-3,4-diyl)dimethanol (s)-5-oxopyrrolidine-2-carboxylate

8. 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;(2s)-5-oxopyrrolidine-2-carboxylic Acid

9. Einecs 277-913-8

10. Unii-ejq7m98h5j

11. Alcoliv

12. Metadoxil (tn)

13. Metadoxine [mart.]

14. 5-oxo-l-proline, Compound With 5-hydroxy-6-methylpyridine-3,4-dimethanol (1:1)

15. Metadoxine [who-dd]

16. Pyridoxine Mixture With Pyrrolidonecarboxylic Acid

17. Pyridoxine Pyroglutamate

18. Pyridoxine-pyrrolidone Carboxylat

19. Dtxsid80996053

20. Hy-b1898

21. Mfcd08704232

22. S5060

23. Akos015913487

24. Ccg-267444

25. Ks-5225

26. 5-oxo-l-proline Compound With 5-hydroxy-6-methylpyridine-3,4-dimethanol (1:1)

27. L-proline, 5-oxo-, Compd. With 5-hydroxy-6-methylpyridine-3,4-dimethanol (1:1)

28. Cs-0013958

29. D08186

30. D70320

31. 536m440

32. Metadoxil, Metasin, Pyridoxine-pyrrolidone Carboxylat

33. L-proline, 5-oxo-, Compd. With5-hydroxy-6-methyl-3,4-pyridinedimethanol (1:1)other Ca Index Names:3,4-pyridinedimethanol, 5-hydroxy-6-methyl-, Compd. With5-oxo-l-proline (1:1)

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 298.29 g/mol
Molecular Formula C13H18N2O6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass298.11648630 g/mol
Monoisotopic Mass298.11648630 g/mol
Topological Polar Surface Area140 Ų
Heavy Atom Count21
Formal Charge0
Complexity297
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Alcohol Deterrents

Substances interfering with the metabolism of ethyl alcohol, causing unpleasant side effects thought to discourage the drinking of alcoholic beverages. Alcohol deterrents are used in the treatment of alcoholism. (See all compounds classified as Alcohol Deterrents.)


4.2 ATC Code

A - Alimentary tract and metabolism

A05 - Bile and liver therapy

A05B - Liver therapy, lipotropics

A05BA - Liver therapy

A05BA09 - Metadoxine


API SUPPLIERS

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01

Sun Pharmaceutical Industries Limi...

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

American Pharma Summit
Not Confirmed
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Sun Pharmaceutical Industries Limi...

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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American Pharma Summit
Not Confirmed
USDMF CEP/COS JDMF EU-WCInactive-api NDC KDMF VMF Others AUDIT
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02

Shandong Qidu Pharmaceutical

China

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

American Pharma Summit
Not Confirmed
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Shandong Qidu Pharmaceutical

China

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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American Pharma Summit
Not Confirmed
USDMF CEP/COS JDMF EU-WC NDC KDMF VMF Others AUDIT
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03

Guangzhou Tosun Pharmaceutical

China

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

American Pharma Summit
Not Confirmed
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API Reference Price

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OF","selfForZScoreResived":"Pharma Grade","supplierPort":"MADRAS SEA","supplierAddress":"25 BUNDER STREETIIND FLOOR,, CHENNAI","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2022","qtr":"Q3","strtotime":1663266600,"product":"METADOXINE","address":"25 BUNDER STREETIIND FLOOR,","city":"CHENNAI","supplier":"AEON FORMULATIONS PRIVATE LIMITED","supplierCountry":"INDIA","foreign_port":"HO CHI MINH, VICT","customer":"MEDISUN PHARMACEUTICAL JOINT ","customerCountry":"VIETNAM","quantity":"500.00","actualQuantity":"500","unit":"KGS","unitRateFc":"91","totalValueFC":"44172.1","currency":"USD","unitRateINR":7080,"date":"16-Sep-2022","totalValueINR":"3540000","totalValueInUsd":"44172.1","indian_port":"MADRAS SEA","hs_no":"29420090","bill_no":"4227179","productDescription":"API","marketType":"LESS REGULATED MARKET","country":"VIETNAM, DEMOCRATIC REP. OF","selfForZScoreResived":"Pharma Grade","supplierPort":"MADRAS SEA","supplierAddress":"25 BUNDER STREETIIND FLOOR,, CHENNAI","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2023","qtr":"Q2","strtotime":1682361000,"product":"METADOXINE (BATCH NO:PVO\/MXN\/22085)","address":"25 BUNDER STREETIIND FLOOR,","city":"CHENNAI","supplier":"AEON FORMULATIONS PRIVATE LIMITED","supplierCountry":"INDIA","foreign_port":"BOGOTA","customer":"THE PURCHASING OFFICER","customerCountry":"COLOMBIA","quantity":"200.00","actualQuantity":"200","unit":"KGS","unitRateFc":"99","totalValueFC":"18425","currency":"USD","unitRateINR":7550,"date":"25-Apr-2023","totalValueINR":"1510000","totalValueInUsd":"18425","indian_port":"MADRAS AIR","hs_no":"29420090","bill_no":"9541035","productDescription":"API","marketType":"LESS REGULATED MARKET","country":"COLOMBIA","selfForZScoreResived":"Pharma Grade","supplierPort":"MADRAS AIR","supplierAddress":"25 BUNDER STREETIIND FLOOR,, CHENNAI","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2024","qtr":"Q2","strtotime":1718908200,"product":"METADOXINE (BATCH NO:PVO\/MXN\/24021)","address":"25 BUNDER STREET","city":"CHENNAI","supplier":"AEON FORMULATIONS PRIVATE LIMITED","supplierCountry":"INDIA","foreign_port":"BOGOTA","customer":"THE PURCHASING OFFICER","customerCountry":"COLOMBIA","quantity":"200.00","actualQuantity":"200","unit":"KGS","unitRateFc":"89","totalValueFC":"17117.8","currency":"USD","unitRateINR":7144.8999999999996,"date":"21-Jun-2024","totalValueINR":"1428980","totalValueInUsd":"17117.8","indian_port":"Madras Air","hs_no":"29420090","bill_no":"1829629","productDescription":"API","marketType":"LESS REGULATED MARKET","country":"COLOMBIA","selfForZScoreResived":"Pharma Grade","supplierPort":"Madras Air","supplierAddress":"25 BUNDER STREET, CHENNAI","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2024","qtr":"Q3","strtotime":1721154600,"product":"METADOXINE (BATCH NO:PVO\/MXN\/24028)","address":"25 BUNDER STREET","city":"CHENNAI","supplier":"AEON FORMULATIONS PRIVATE LIMITED","supplierCountry":"INDIA","foreign_port":"HO CHI MINH, VICT","customer":"THE PURCHASING OFFICER","customerCountry":"VIETNAM","quantity":"300.00","actualQuantity":"300","unit":"KGS","unitRateFc":"93","totalValueFC":"26999.1","currency":"USD","unitRateINR":7522.9433333333336,"date":"17-Jul-2024","totalValueINR":"2256883","totalValueInUsd":"26999.1","indian_port":"Madras Sea","hs_no":"29420090","bill_no":"2473460","productDescription":"API","marketType":"LESS REGULATED MARKET","country":"VIETNAM","selfForZScoreResived":"Pharma Grade","supplierPort":"Madras Sea","supplierAddress":"25 BUNDER STREET, CHENNAI","customerAddress":""}]
04-Jul-2022
17-Jul-2024
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