AG00ICJ7

74536-44-0 | (2S)-5-oxopyrrolidine-2-carboxylic acid; 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol

AG00ICJ7

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CAS Number	74536-44-0
Catalog Number	AG00ICJ7(AGN-PC-0U5GW3)
Chemical Name	(2S)-5-oxopyrrolidine-2-carboxylic acid; 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
EC Number	277-913-8
IUPAC Name	4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;(2S)-5-oxopyrrolidine-2-carboxylic acid
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
InChI Key	RYKKQQUKJJGFMN-HVDRVSQOSA-N
MDL Number	MFCD08704232
Molecular Formula	C13H18N2O6
Molecular Weight	298.2918
SMILES	O=C(O)[C@H](CC1)NC1=O.CC2=C(O)C(CO)=C(CO)C=N2
UNII	EJQ7M98H5J
Synonyms	Metadoxil, metadoxine, Metadoxyl, Metadoxine, 74536-44-0, Metadoxil, Metasin, UNII-EJQ7M98H5J, EINECS 277-913-8, EJQ7M98H5J, 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), Alcoliv, C8H11NO3.C5H7NO3, Metadoxil (TN), AC1L3GPB, AC1Q5R4R, Pyridoxine mixture with Pyrrolidonecarboxylic Acid, pyridoxine-pyrrolidone carboxylat, KS-00000GJC, 5-Oxo-L-proline compound with 5-hydroxy-6-methylpyridine-3,4-dimethanol (1:1), HY-B1898, 5-oxo-l-proline- 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol(1:1), KM1622, MFCD08704232, AKOS015913487, API0000644, KS-5225, AN-15063, M641, LS-186793, CS-0013958, D08186, 536M440, I14-4704, 5-Hydroxy-6-methyl-3,4-pyridinedimethanol, 5-Oxo-L-proline, (2S)-5-oxopyrrolidine-2-carboxylic acid; 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol, (5-hydroxy-6-methylpyridine-3,4-diyl)dimethanol (S)-5-oxopyrrolidine-2-carboxylate, 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; (2S)-5-oxopyrrolidine-2-carboxylic acid, 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol; (2S)-5-oxopyrrolidine-2-carboxylic acid, 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), Metadoxin, D0YH0N, MG01CI, C13H18N2O6, AR-1G9308, CID115198, CS-O-01921, C8-H11-N-O3.C5-H7-N-O3, Metadoxine (oral sustained release, ADHD), Metadoxine (oral extended release, ADHD), Alcobra, Metadoxine (oral sustained release, ADHD), Alcobra, MDX, 91240-16-3,

Complexity	297
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	298.116g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	298.295g/mol
Monoisotopic Mass	298.116g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	140A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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