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Substance Name: m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)-
RN: 22644-54-8
InChIKey: BIBPEWWZUOEEMJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H24-O3

Molecular Weight

  • 216.319
 
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Names and Synonyms

Synonym

  • trans-5-(Isopropoxymethyl)-2-isopropyl-5-methyl-1,3-dioxane

Systematic Name

  • m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)-

Registry Numbers

CAS Registry Number

  • 22644-54-8

System Generated Number

  • 0022644548

Structure Descriptors

InChI

1S/C12H24O3/c1-9(2)11-14-7-12(5,8-15-11)6-13-10(3)4/h9-11H,6-8H2,1-5H3

InChIKey

BIBPEWWZUOEEMJ-UHFFFAOYSA-N

Smiles

C1(COC(C(C)C)OC1)(COC(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 700mg/kg (700mg/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.