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Substance Name: 1,2-Propanediol, 3-fluoro-, 1-(dihydrogen phosphate), bis(cyclohexylammonium) salt, D-
RN: 40147-96-4
InChIKey: FPNBGESKEFQWTJ-VYFHOAEYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C3-H8-F-O5-P.C12-H28-N2

Molecular Weight

  • 372.4146
 
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Names and Synonyms

Synonyms

  • D-1-Deoxyfluoroglycerol 3-phosphate dicyclohexylammonium salt
  • D-3-Fluoro-1,2-propanediol 1-(dihydrogen phosphate) bis(cyclohexylammonium) salt

Systematic Name

  • 1,2-Propanediol, 3-fluoro-, 1-(dihydrogen phosphate), bis(cyclohexylammonium) salt, D-

Registry Numbers

CAS Registry Number

  • 40147-96-4

System Generated Number

  • 0040147964

Molecular Formulas

Molecular Formula

  • C3-H8-F-O5-P.C12-H28-N2

Molecular Formula Fragments

  • C12-H28-N2
  • C3-H8-F-O5-P
  • COMPONENT

Structure Descriptors

InChI

1S/2C6H13N.C3H8FO5P/c2*7-6-4-2-1-3-5-6;4-1-3(5)2-9-10(6,7)8/h2*6H,1-5,7H2;3,5H,1-2H2,(H2,6,7,8)/t;;3-/m..0/s1

InChIKey

FPNBGESKEFQWTJ-VYFHOAEYSA-N

Smiles

C1CCC(CC1)N.C1CCC(CC1)N.C([C@H](CF)O)OP(=O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 270mg/kg (270mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 697, 1974.