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93523-70-7

93523-70-7 Structure

93523-70-7 Structure
IdentificationBack Directory
[Name]

4-METHYL-2-OXOPENTANOIC-1-13C ACID SOD&
[CAS]

93523-70-7
[Synonyms]

α-ketoisocaproic acid-1-13c sodium salt
4-METHYL-2-OXOPENTANOIC-1-13C ACID SOD&
2-Ketoisocaproic acid-1-13C sodium salt
2-Keto-4-methylpentanoic-1-13C acid sodium salt
4-METHYL-2-OXOPENTANOIC-1-13C ACID, SODI UM SALT, 99 ATOM % 13C
[Molecular Formula]

C6H9NaO3
[MDL Number]

MFCD00084073
[MOL File]

93523-70-7.mol
[Molecular Weight]

153.12
Chemical PropertiesBack Directory
[Melting point ]

280 °C (dec.)(lit.)
[form ]

Solid
[color ]

White to off-white
[InChI]

1S/C6H10O3.Na/c1-4(2)3-5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1/i6+1;
[InChIKey]

IXFAZKRLPPMQEO-NWZHYJCUSA-M
[SMILES]

[Na+].CC(C)CC(=O)[13C]([O-])=O
[CAS Number Unlabeled]

4502-00-5
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

4-Methyl-2-oxopentanoic acid-13C (sodium) is the 13C labeled 4-Methyl-2-oxopentanoic acid sodium[1].
[References]

[1] Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. DOI:10.1177/1060028018797110
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