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Substance Name: 1,2-Propanediol, 3-(3,5-dimethoxyphenoxy)-
RN: 27318-87-2
InChIKey: ZSCBAJZMNJWRTI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-O5

Molecular Weight

  • 228.242
 
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Names and Synonyms

Synonyms

  • 3-(3,5-Dimethoxyphenoxy)-1,2-propanediol
  • 4-06-00-07366 (Beilstein Handbook Reference)
  • BRN 2332148
  • X 27

Systematic Name

  • 1,2-Propanediol, 3-(3,5-dimethoxyphenoxy)-

Registry Numbers

CAS Registry Number

  • 27318-87-2

System Generated Number

  • 0027318872

Structure Descriptors

InChI

1S/C11H16O5/c1-14-9-3-10(15-2)5-11(4-9)16-7-8(13)6-12/h3-5,8,12-13H,6-7H2,1-2H3

InChIKey

ZSCBAJZMNJWRTI-UHFFFAOYSA-N

Smiles

C([C@@H](COc1cc(cc(c1)OC)OC)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 780mg/kg (780mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 111, 1974.
mouse LD50 oral 2070mg/kg (2070mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 111, 1974.
rat LD50 intraperitoneal 955mg/kg (955mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 111, 1974.
rat LD50 oral 2100mg/kg (2100mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 111, 1974.