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Substance Name: Decanoic acid, 3-(4-(1-oxodecyl)-1-piperazinyl)propyl ester, monomethanesulfonate
RN: 63186-65-2
InChIKey: LTSRLDOZNDDYSU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H52-N2-O3.C-H4-O3-S

Molecular Weight

  • 548.8244
 
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Names and Synonyms

Synonym

  • VUFB-10,583

Systematic Name

  • Decanoic acid, 3-(4-(1-oxodecyl)-1-piperazinyl)propyl ester, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 63186-65-2

System Generated Number

  • 0063186652

Molecular Formulas

Molecular Formula

  • C27-H52-N2-O3.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C27-H52-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C27H52N2O3.CH4O3S/c1-3-5-7-9-11-13-15-18-26(30)29-23-21-28(22-24-29)20-17-25-32-27(31)19-16-14-12-10-8-6-4-2;1-5(2,3)4/h3-25H2,1-2H3;1H3,(H,2,3,4)

InChIKey

LTSRLDOZNDDYSU-UHFFFAOYSA-N

Smiles

CCCCCCCCCC(=O)N1CCN(CC1)CCCOC(=O)CCCCCCCCC.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral > 2500mg/kg (2500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 3437, 1976.