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Substance Name: 4-Isopropylbicyclophosphate
RN: 51052-72-3
InChIKey: CIEZMYRJRCLYNF-UHFFFAOYSA-N

Note

  • Highly toxic cpd used in spectroscopic studies, potential flame retardants, vinyl resin stabilizers, & antioxidants; are not cholinesterase inhibitors.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H13-O4-P

Molecular Weight

  • 192.15
 
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Names and Synonyms

Name of Substance

  • 4-Isopropylbicyclophosphate

Synonyms

  • 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octan-1-oxide, 4-isopropyl-
  • 2-(Hydroxymethyl)-2-isopropyl-1,3-propanediol, cyclic phosphate (1:1)
  • 4-Isopropyl-2,6,7-trioxa-1-fosfabicyklo(2.2.2)oktan-1-oxid
  • 4-Isopropyl-2,6,7-trioxa-1-fosfabicyklo(2.2.2)oktan-1-oxid [Czech]
  • 4-Isopropyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-oxide
  • BRN 3541373

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 51052-72-3

System Generated Number

  • 0051052723

Structure Descriptors

InChI

1S/C7H13O4P/c1-6(2)7-3-9-12(8,10-4-7)11-5-7/h6H,3-5H2,1-2H3

InChIKey

CIEZMYRJRCLYNF-UHFFFAOYSA-N

Smiles

C12(C(C)C)COP(=O)(OC1)OC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 180ug/kg (0.18mg/kg)   Chemical & Engineering News. Vol. 52(1), Pg. 56, 1974.
mouse LD50 intravenous 310ug/kg (0.31mg/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.