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Substance Name: 1,6-Benzodioxocin-8-methanol, 2,3,4,5-tetrahydro-alpha-ethyl-
RN: 137150-47-1
InChIKey: AAZPNFRKNXUPHX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-O3

Molecular Weight

  • 222.2822
 
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Names and Synonyms

Synonyms

  • alpha-Ethyl-2,3,4,5-tetrahydro-1,6-benzodioxocin-8-methanol
  • BRN 5336282

Systematic Names

  • 1,6-Benzodioxocin-8-methanol, 2,3,4,5-tetrahydro-alpha-ethyl-
  • 1,6-Benzodioxocin-8-methanol, alpha-ethyl-2,3,4,5-tetrahydro-

Registry Numbers

CAS Registry Number

  • 137150-47-1

System Generated Number

  • 0137150471

Structure Descriptors

InChI

1S/C13H18O3/c1-2-11(14)10-5-6-12-13(9-10)16-8-4-3-7-15-12/h5-6,9,11,14H,2-4,7-8H2,1H3

InChIKey

AAZPNFRKNXUPHX-UHFFFAOYSA-N

Smiles

CCC(c1ccc2c(c1)OCCCCO2)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 442, 1991.