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Substance Name: Aluminate(1-), (D-gluconato(2-)-O(sup 1),O(sup 2)dihydroxy-, (T-4)-, hydrogen, compd. with N-cyclohexyl-1-piperazineacetamide (1:1)
RN: 88732-96-1
InChIKey: WMQGSONSTXJHHD-MWCSUGHGSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H12-Al-O9.C12-H23-N3-O.H

Molecular Weight

  • 481.4754
 
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Names and Synonyms

Synonym

  • Dihydroxy-aluminium-gluconate of N-cyclohexyl-piperazinoacetamide complex salt

Systematic Name

  • Aluminate(1-), (D-gluconato(2-)-O(sup 1),O(sup 2)dihydroxy-, (T-4)-, hydrogen, compd. with N-cyclohexyl-1-piperazineacetamide (1:1)

Registry Numbers

CAS Registry Number

  • 88732-96-1

System Generated Number

  • 0088732961

Molecular Formulas

Molecular Formula

  • C6-H12-Al-O9.C12-H23-N3-O.H

Molecular Formula Fragments

  • C12-H23-N3-O
  • C6-H12-Al-O9
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C12H23N3O.C6H11O7.Al.2H2O/c16-12(10-15-8-6-13-7-9-15)14-11-4-2-1-3-5-11;7-1-2(8)3(9)4(10)5(11)6(12)13;;;/h11,13H,1-10H2,(H,14,16);2-5,7-10H,1H2,(H,12,13);;2*1H2/q;-1;+3;;/p-2/t;2-,3-,4+,5-;;;/m.1.../s1

InChIKey

WMQGSONSTXJHHD-MWCSUGHGSA-L

Smiles

OC[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O[Al-](O)(O)OC1=O.O=C(CN2CCNCC2)NC3CCCCC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 6242mg/kg (6242mg/kg)   United States Patent Document. Vol. #4495186,
rat LD50 oral 6668mg/kg (6668mg/kg)   United States Patent Document. Vol. #4495186,