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Substance Name: 2,7-Dioxaspiro(4.4)nonane-1,6-dione, 3-methyl-8-(4-morpholinylmethyl)-, hydrate (2:1)
RN: 66223-13-0
InChIKey: RLFXHPIUFSECLZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H38-N2-O10.H2-O

Molecular Weight

  • 556.605
 
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Names and Synonyms

Synonym

  • 3-Methyl-8-(4-morpholinylmethyl)-2,7-dioxaspiro(4.4)nonane-1,6-dione hemihydrate

Systematic Name

  • 2,7-Dioxaspiro(4.4)nonane-1,6-dione, 3-methyl-8-(4-morpholinylmethyl)-, hydrate (2:1)

Registry Numbers

CAS Registry Number

  • 66223-13-0

System Generated Number

  • 0066223130

Molecular Formulas

Molecular Formula

  • C26-H38-N2-O10.H2-O

Molecular Formula Fragments

  • C26-H38-N2-O10
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C13H19NO5.H2O/c2*1-9-6-13(11(15)18-9)7-10(19-12(13)16)8-14-2-4-17-5-3-14;/h2*9-10H,2-8H2,1H3;1H2

InChIKey

RLFXHPIUFSECLZ-UHFFFAOYSA-N

Smiles

C1([C@@]2(C(O[C@@H](C2)C)=O)C[C@@H](CN2CCOCC2)O1)=O.O.C1([C@@]2(C(O[C@@H](C2)C)=O)C[C@@H](CN2CCOCC2)O1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 2gm/kg (2000mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 29, Pg. 565, 1977.