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Substance Name: Magnesium, bis(N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alaninato-N,O)-, monohydrate, (T-4-(R),(R))-
RN: 131810-94-1
InChIKey: YGZXDYIVNNNODL-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H32-Mg-N2-O10.H2-O

Molecular Weight

  • 478.7746
 
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Names and Synonyms

Synonym

  • beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, magnesium complex, (R)-

Systematic Name

  • Magnesium, bis(N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alaninato-N,O)-, monohydrate, (T-4-(R),(R))-

Registry Numbers

CAS Registry Number

  • 131810-94-1

System Generated Number

  • 0131810941

Molecular Formulas

Molecular Formula

  • C18-H32-Mg-N2-O10.H2-O

Molecular Formula Fragments

  • C18-H32-Mg-N2-O10
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C9H17NO5.Mg.H2O/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);;1H2/q;;+2;/p-2

InChIKey

YGZXDYIVNNNODL-UHFFFAOYSA-L

Smiles

CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.O.[Mg+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 582mg/kg (582mg/kg)   Pharmaceutical Chemistry Journal Vol. 24, Pg. 842, 1990.