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Substance Name: m-Dioxane, 5-(1-isopropoxyethyl)-2-methyl-5-propyl-, (E)-
RN: 22644-73-1
InChIKey: YPZUJHGPKMAZLO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H26-O3

Molecular Weight

  • 230.345
 
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Names and Synonyms

Synonym

  • trans-5-(1-Isopropoxyethyl)-2-methyl-5-propyl-1,3-dioxane

Systematic Name

  • m-Dioxane, 5-(1-isopropoxyethyl)-2-methyl-5-propyl-, (E)-

Registry Numbers

CAS Registry Number

  • 22644-73-1

System Generated Number

  • 0022644731

Structure Descriptors

InChI

1S/C13H26O3/c1-6-7-13(11(4)16-10(2)3)8-14-12(5)15-9-13/h10-12H,6-9H2,1-5H3

InChIKey

YPZUJHGPKMAZLO-UHFFFAOYSA-N

Smiles

C1[C@]([C@H](OC(C)C)C)(COC(O1)C)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Pharmaceutical Chemistry Journal Vol. 2, Pg. 475, 1968.