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Substance Name: m-Dioxane, 5-allyl-2-isopropyl-5-(1-methoxyethyl)-, (E)-
RN: 22644-66-2
InChIKey: PULPVVBVJILRKY-JHJVBQTASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H24-O3

Molecular Weight

  • 228.33
 
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Names and Synonyms

Synonym

  • trans-5-Allyl-2-isopropyl-5-(1-methoxyethyl)-1,3-dioxane

Systematic Name

  • m-Dioxane, 5-allyl-2-isopropyl-5-(1-methoxyethyl)-, (E)-

Registry Numbers

CAS Registry Number

  • 22644-66-2

System Generated Number

  • 0022644662

Structure Descriptors

InChI

1S/C13H24O3/c1-6-7-13(11(4)14-5)8-15-12(10(2)3)16-9-13/h6,10-12H,1,7-9H2,2-5H3/t11-,12-,13-/m1/s1

InChIKey

PULPVVBVJILRKY-JHJVBQTASA-N

Smiles

C1[C@](CO[C@H](O1)C(C)C)([C@H](OC)C)CC=C

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.