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Substance Name: 1,3-Propanediol, 2-cyclohexyl-2-(hydroxymethyl)-, cyclic phosphate (1:1)
RN: 67590-50-5
InChIKey: VYLWBDCRZXJPGJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H17-O4-P

Molecular Weight

  • 232.2143
 
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Names and Synonyms

Synonyms

  • 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octan-1-one, 4-cyclohexyl-
  • 2-Cyclohexyl-2-(hydroxymethyl)-1,3-propanediol, cyclic phosphate (1:1)
  • 4-Cyclohexyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octan-1-one
  • BRN 2274647

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67590-50-5

System Generated Number

  • 0067590505

Structure Descriptors

InChI

1S/C10H17O4P/c11-15-12-6-10(7-13-15,8-14-15)9-4-2-1-3-5-9/h9H,1-8H2

InChIKey

VYLWBDCRZXJPGJ-UHFFFAOYSA-N

Smiles

C1CCC(CC1)C23COP(=O)(OC2)OC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250ug/kg (0.25mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 8, Pg. 601, 1983.
mouse LD50 intravenous 520ug/kg (0.52mg/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.