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Substance Name: 1,2-Propanediol, 3-fluoro-, 1-phosphate (ester), dicyclohexylammonium salt
RN: 62522-75-2
InChIKey: ZKMYUQUTOZRCDC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C3-H9-F-O5-P.C12-H24-N

Molecular Weight

  • 355.3839
 
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Names and Synonyms

Synonyms

  • 1-FdG-3P dcha
  • 1-Fluorodeoxyglycerol 3-phosphate dicyclohexylammonium salt

Systematic Name

  • 1,2-Propanediol, 3-fluoro-, 1-phosphate (ester), dicyclohexylammonium salt

Registry Numbers

CAS Registry Number

  • 62522-75-2

System Generated Number

  • 0062522752

Molecular Formulas

Molecular Formula

  • C3-H9-F-O5-P.C12-H24-N

Molecular Formula Fragments

  • C12-H24-N
  • C3-H9-F-O5-P
  • COMPONENT

Structure Descriptors

InChI

1S/C12H23N.C3H8FO5P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4-1-3(5)2-9-10(6,7)8/h11-13H,1-10H2;3,5H,1-2H2,(H2,6,7,8)

InChIKey

ZKMYUQUTOZRCDC-UHFFFAOYSA-N

Smiles

C1CCC(CC1)NC2CCCCC2.C(C(CF)O)OP(=O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 110mg/kg (110mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 644, 1977.