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Substance Name: Piperidinium, 1-(4-hydroxybutyl)-1-methyl-, iodide, ester with (cis-1,2,cis-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1)
RN: 7387-90-8
InChIKey: GPHZUTDOLSUYOQ-FYBWSRBXSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H56-N2-O4.2I

Molecular Weight

  • 858.67
 
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Names and Synonyms

  • Piperidinium, 1-(4-hydroxybutyl)-1-methyl-, iodide, ester with (cis-1,2,cis-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1)

Registry Numbers

CAS Registry Number

  • 7387-90-8

System Generated Number

  • 0007387908

Molecular Formulas

Molecular Formula

  • C38-H56-N2-O4.2I

Molecular Formula Fragments

  • C38-H56-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C38H56N2O4.2HI/c1-39(23-11-5-12-24-39)27-15-17-29-43-37(41)35-33(31-19-7-3-8-20-31)36(34(35)32-21-9-4-10-22-32)38(42)44-30-18-16-28-40(2)25-13-6-14-26-40;;/h3-4,7-10,19-22,33-36H,5-6,11-18,23-30H2,1-2H3;2*1H/q+2;;/p-2/t33-,34-,35-,36+;;

InChIKey

GPHZUTDOLSUYOQ-FYBWSRBXSA-L

Smiles

[IH-].[IH-].[N+]1(CCCCC1)(C)CCCCOC(=O)[C@H]1[C@@H]([C@H](C(OCCCC[N+]2(CCCCC2)C)=O)[C@H]1c1ccccc1)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 900ug/kg (0.9mg/kg)   Farmakologiya i Toksikologiya Vol. 29, Pg. 53, 1966.