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Substance Name: Ferrocholinate [INN]
RN: 1336-80-7
UNII: LWI5ZJ8WVL
InChIKey: UQSASSBWRKBREL-UHFFFAOYSA-K

Molecular Formulas

  • C11-H20-Fe-N-O9
  • C6-H10-Fe-O10.C5-H14-N-O

Molecular Weight

  • 402.1516
 
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Names and Synonyms

Name of Substance

  • Ferrocholinate [INN]

Synonyms

  • 2-Hydroxy-1,2,3-propanetricarboxylic acid, iron complex
  • 2-Hydroxy-N,N,N-trimethylethanaminium triaqua(2-hydroxy-1,2,3-tricarboxylatoferrate, (OC-6-44)
  • EINECS 215-649-7
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, (OC-6-44)-triaqua(2-hydroxy-1,2,3-propanetricarboxylato(4-))ferrate(1-)
  • Ferrate(1-), triaqua(2-hydroxy-1,2,3-propanetricarboxylato(4-))-, (oc-6-44)-, 2-hydroxy-N,N,N-trimethylethanaminium
  • Ferric choline citrate
  • Ferricholinatum
  • Ferrocholinate
  • Ferrocholinate citrate
  • Ferrocholinatum
  • Ferrocholinatum [INN-Latin]
  • Ferrocolinato
  • Ferrocolinato [INN-Spanish]
  • Iron 2-hydroxy-1,2,3-propanetricarboxylate complex
  • Iron choline citrate
  • Iron choline citrate complex
  • Iron-choline citrate complex
  • UNII-LWI5ZJ8WVL

Systematic Names

  • Chelate prepared by reacting equimolar quantities of freshly precipitated ferric hydroxide with choline dihydrogen citrate
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxy(2-hydroxy-1,2,3-propanetricarboxylato(4-))ferrate(1-)
  • Ferrocholinate

Superlist Name

  • Ferrocholinate

Registry Numbers

CAS Registry Number

  • 1336-80-7

FDA UNII

  • LWI5ZJ8WVL

System Generated Number

  • 0001336807

Molecular Formulas

Molecular Formulas

  • C11-H20-Fe-N-O9
  • C6-H10-Fe-O10.C5-H14-N-O

Molecular Formula Fragments

  • C5-H14-N-O
  • C6-H10-Fe-O10
  • COMPONENT

Structure Descriptors

InChI

1S/C6H7O7.C5H14NO.Fe.3H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-6(2,3)4-5-7;;;;/h1-2H2,(H,7,8)(H,9,10)(H,11,12);7H,4-5H2,1-3H3;;3*1H2/q-1;+1;+3;;;/p-3

InChIKey

UQSASSBWRKBREL-UHFFFAOYSA-K

Smiles

C[N+](C)(C)CCO.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])[O-].O.O.O.[Fe+3]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 140mg/kg (140mg/kg)   American Journal of the Medical Sciences. Vol. 241, Pg. 296, 1961.
mouse LD50 intraperitoneal 151mg/kg (151mg/kg)   American Journal of the Medical Sciences. Vol. 241, Pg. 296, 1961.
mouse LD50 intravenous 210mg/kg (210mg/kg)   American Journal of the Medical Sciences. Vol. 241, Pg. 296, 1961.
mouse LD50 oral 5500mg/kg (5500mg/kg)   American Journal of the Medical Sciences. Vol. 241, Pg. 296, 1961.