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Substance Name: Glycine, N-carboxy-, N,N'-(2-methyl-2-propyltrimethylene) ester, monoammonium salt
RN: 25648-81-1
InChIKey: VLINIYABZIRGBS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H22-N2-O8.H4-N

Molecular Weight

  • 351.353
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-propyl-1,3-propanediol N,N'-bis(carboxymethyl)dicarbamate monoammonium salt
  • N-Carboxyglycine N,N'-(2-methyl-2-propyltrimethylene) ester monoammonium salt

Systematic Name

  • Glycine, N-carboxy-, N,N'-(2-methyl-2-propyltrimethylene) ester, monoammonium salt

Registry Numbers

CAS Registry Number

  • 25648-81-1

System Generated Number

  • 0025648811

Molecular Formulas

Molecular Formula

  • C13-H22-N2-O8.H4-N

Molecular Formula Fragments

  • C13-H22-N2-O8
  • COMPONENT
  • H4-N

Structure Descriptors

InChI

1S/C13H22N2O8.H3N/c1-3-4-13(2,7-22-11(20)14-5-9(16)17)8-23-12(21)15-6-10(18)19;/h3-8H2,1-2H3,(H,14,20)(H,15,21)(H,16,17)(H,18,19);1H3

InChIKey

VLINIYABZIRGBS-UHFFFAOYSA-N

Smiles

C([O-])(=O)CNC(=O)OC[C@@](COC(NCC(O)=O)=O)(C)CCC.[NH4+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 940mg/kg (940mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.