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Substance Name: Piperazinium, 1,1,4-trimethyl-4-(((2-(1,4,4-trimethylpiperazinium-1-yl)ethyl)thio)methyl)-, salt with 4-methylbenzenesulfonic acid (1:4)
RN: 63978-62-1
InChIKey: YYGMDMFGGCXPCV-UHFFFAOYSA-J

Molecular Formula

  • C17-H40-N4-S.4C7-H7-O3-S

Molecular Weight

  • 1017.38
 
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Names and Synonyms

  • Piperazinium, 1,1,4-trimethyl-4-(((2-(1,4,4-trimethylpiperazinium-1-yl)ethyl)thio)methyl)-, salt with 4-methylbenzenesulfonic acid (1:4)

Registry Numbers

CAS Registry Number

  • 63978-62-1

System Generated Number

  • 0063978621

Molecular Formulas

Molecular Formula

  • C17-H40-N4-S.4C7-H7-O3-S

Molecular Formula Fragments

  • C17-H40-N4-S
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C17H40N4S.4C7H8O3S/c1-18(2)7-11-20(5,12-8-18)15-16-22-17-21(6)13-9-19(3,4)10-14-21;4*1-6-2-4-7(5-3-6)11(8,9)10/h7-17H2,1-6H3;4*2-5H,1H3,(H,8,9,10)/q+4;;;;/p-4

InChIKey

YYGMDMFGGCXPCV-UHFFFAOYSA-J

Smiles

[N+]1(CSCC[N+]2(C)CC[N+](C)(CC2)C)(CC[N+](CC1)(C)C)C.c1cc(S(=O)(=O)[O-])ccc1C.c1c(ccc(c1)S(=O)(=O)[O-])C.c1c(ccc(c1)S(=O)(=O)[O-])C.c1c(ccc(c1)S(=O)(=O)[O-])C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   National Technical Information Service. Vol. AD691-490,