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Substance Name: 1,3-Propanediol, 2-cyclopropyl-2-(hydroxymethyl)-, cyclic phosphate (1:1)
RN: 67590-53-8
InChIKey: PFAUMLSNCUKLCX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H11-O4-P

Molecular Weight

  • 190.1339
 
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Names and Synonyms

Synonyms

  • 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octan-1-one, 4-cyclopropyl
  • 2-Cyclopropyl-2-(hydroxymethyl)-1,3-propanediol, cyclic phosphate (1:1)
  • 4-Cyclopropyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octan-1-one
  • BRN 2259963

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67590-53-8

System Generated Number

  • 0067590538

Structure Descriptors

InChI

1S/C7H11O4P/c8-12-9-3-7(4-10-12,5-11-12)6-1-2-6/h6H,1-5H2

InChIKey

PFAUMLSNCUKLCX-UHFFFAOYSA-N

Smiles

C1CC1C23COP(=O)(OC2)OC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 820ug/kg (0.82mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 207, 1978.