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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H11NO3.C5H7NO3
Molecular Weight 298.2918
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METADOXINE

SMILES

OC(=O)[C@@H]1CCC(=O)N1.CC2=NC=C(CO)C(CO)=C2O

InChI

InChIKey=RYKKQQUKJJGFMN-HVDRVSQOSA-N
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

HIDE SMILES / InChI
Molecular Formula C8H11NO3
Molecular Weight 169.1778
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C5H7NO3
Molecular Weight 129.114
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:19:26 UTC 2023
Edited
by admin
on Fri Dec 15 19:19:26 UTC 2023
Record UNII
EJQ7M98H5J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METADOXINE
MART.   WHO-DD  
Common Name English
METADOXINE [MART.]
Common Name English
METASIN
Common Name English
5-OXO-L-PROLINE COMPOUND WITH 5-HYDROXY-6-METHYLPYRIDINE-3,4-DIMETHANOL (1:1)
Systematic Name English
PYRIDOXINE PYROGLUTAMATE
Common Name English
Metadoxine [WHO-DD]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 414513
Created by admin on Fri Dec 15 19:19:27 UTC 2023 , Edited by admin on Fri Dec 15 19:19:27 UTC 2023
Code System Code Type Description
SMS_ID
100000091630
Created by admin on Fri Dec 15 19:19:27 UTC 2023 , Edited by admin on Fri Dec 15 19:19:27 UTC 2023
PRIMARY
EPA CompTox
DTXSID80996053
Created by admin on Fri Dec 15 19:19:27 UTC 2023 , Edited by admin on Fri Dec 15 19:19:27 UTC 2023
PRIMARY
MESH
C037845
Created by admin on Fri Dec 15 19:19:27 UTC 2023 , Edited by admin on Fri Dec 15 19:19:27 UTC 2023
PRIMARY
PUBCHEM
115198
Created by admin on Fri Dec 15 19:19:27 UTC 2023 , Edited by admin on Fri Dec 15 19:19:27 UTC 2023
PRIMARY
EVMPD
SUB14531MIG
Created by admin on Fri Dec 15 19:19:27 UTC 2023 , Edited by admin on Fri Dec 15 19:19:27 UTC 2023
PRIMARY
ECHA (EC/EINECS)
277-913-8
Created by admin on Fri Dec 15 19:19:27 UTC 2023 , Edited by admin on Fri Dec 15 19:19:27 UTC 2023
PRIMARY
WIKIPEDIA
Metadoxine
Created by admin on Fri Dec 15 19:19:27 UTC 2023 , Edited by admin on Fri Dec 15 19:19:27 UTC 2023
PRIMARY
CAS
74536-44-0
Created by admin on Fri Dec 15 19:19:27 UTC 2023 , Edited by admin on Fri Dec 15 19:19:27 UTC 2023
PRIMARY
FDA UNII
EJQ7M98H5J
Created by admin on Fri Dec 15 19:19:27 UTC 2023 , Edited by admin on Fri Dec 15 19:19:27 UTC 2023
PRIMARY
Related Record Type Details
Structure of PYRIDOXINE
PARENT -> SALT/SOLVATE
Structure of PIDOLIC ACID
PARENT -> SALT/SOLVATE
NIH
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