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Substance Name: 1,3-Propanediol, 1,2-dimethyl-2-(hydroxymethyl)-, cyclic phosphate (1:1)
RN: 67590-49-2
InChIKey: LJOCPDNNEOUEKQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H11-O4-P

Molecular Weight

  • 178.1229
 
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Names and Synonyms

Synonyms

  • 1,2-Dimethyl-2-(hydroxymethyl)-1,3-propanediol, cyclic phosphate (1:1)
  • 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octan-1-one, 4,8-dimethyl-
  • 4,8-Dimethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octan-1-one
  • BRN 2254806

Systematic Name

  • 1,3-Propanediol, 1,2-dimethyl-2-(hydroxymethyl)-, cyclic phosphate (1:1)

Registry Numbers

CAS Registry Number

  • 67590-49-2

System Generated Number

  • 0067590492

Structure Descriptors

InChI

1S/C6H11O4P/c1-5-6(2)3-8-11(7,10-5)9-4-6/h5H,3-4H2,1-2H3

InChIKey

LJOCPDNNEOUEKQ-UHFFFAOYSA-N

Smiles

CC1C2(COP(=O)(O1)OC2)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 55mg/kg (55mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 8, Pg. 601, 1983.
mouse LD50 intravenous 62mg/kg (62mg/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.