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Substance Name: Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)-
RN: 66178-06-1
InChIKey: IBFHVVYOZSCYNN-VIFPVBQESA-N

Molecular Formula

  • C11-H12-O5

Molecular Weight

  • 224.2108
 
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Names and Synonyms

Synonyms

  • (S)-alpha-Benzylmalic acid
  • 4-(Phenylmethyl) (S)-hydroxybutanedioate
  • Benzyl alpha-(S)-malate

Systematic Name

  • Butanedioic acid, hydroxy-, 4-(phenylmethyl) ester, (S)-

Registry Numbers

CAS Registry Number

  • 66178-06-1

System Generated Number

  • 0066178061

Structure Descriptors

InChI

1S/C11H12O5/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,14,15)/t9-/m0/s1

InChIKey

IBFHVVYOZSCYNN-VIFPVBQESA-N

Smiles

c1ccc(cc1)COC(=O)C[C@@H](C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   Journal of Antibiotics. Vol. 37, Pg. 682, 1984.