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Substance Name: 1,3-Propanediol, 2-(tert-butyl)-2-(hydroxymethyl)-, cyclic phosphite (1:1)
RN: 67590-46-9
InChIKey: LYBMOIDTZZHAOT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H15-O3-P

Molecular Weight

  • 190.178
 
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Names and Synonyms

Synonyms

  • 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(tert-butyl)-
  • 2-(tert-Butyl)-2-(hydroxymethyl)-1,3-propanediol, cyclic phosphite (1:1)
  • 4-(tert-Butyl)-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane
  • BRN 2241837

Systematic Name

  • 1,3-Propanediol, 2-(tert-butyl)-2-(hydroxymethyl)-, cyclic phosphite (1:1)

Registry Numbers

CAS Registry Number

  • 67590-46-9

System Generated Number

  • 0067590469

Structure Descriptors

InChI

1S/C8H15O3P/c1-7(2,3)8-4-9-12(10-5-8)11-6-8/h4-6H2,1-3H3

InChIKey

LYBMOIDTZZHAOT-UHFFFAOYSA-N

Smiles

P12OCC(CO1)(CO2)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 40ug/kg (0.04mg/kg)   Toxicology and Applied Pharmacology. Vol. 47, Pg. 287, 1979.
mouse LD50 intravenous 210ug/kg (0.21mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 207, 1978.