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Substance Name: m-Dioxane, 2-isopropyl-5-(methoxymethyl)-5-propyl-, (Z)-
RN: 22645-43-8
InChIKey: TXVWJQUUWDTJRT-TXEJJXNPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H24-O3

Molecular Weight

  • 216.319
 
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Names and Synonyms

Synonym

  • cis-2-Isopropyl-5-(methoxymethyl)-5-propyl-1,3-dioxane

Systematic Name

  • m-Dioxane, 2-isopropyl-5-(methoxymethyl)-5-propyl-, (Z)-

Registry Numbers

CAS Registry Number

  • 22645-43-8

System Generated Number

  • 0022645438

Structure Descriptors

InChI

1S/C12H24O3/c1-5-6-12(7-13-4)8-14-11(10(2)3)15-9-12/h10-11H,5-9H2,1-4H3/t11-,12+

InChIKey

TXVWJQUUWDTJRT-TXEJJXNPSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1600mg/kg (1600mg/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.