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Substance Name: Piperazinium, 1,4-dimethyl-1,4-bis(2-(((4-methylmorpholinium-4-yl)methyl)thio)ethyl)-, salt with 4-methylbenzenesulfonic acid (1:4)
RN: 63917-38-4
InChIKey: VYEDHJIHROEAGS-UHFFFAOYSA-J

Molecular Formula

  • C22-H48-N4-O2-S2.4C7-H7-O3-S

Molecular Weight

  • 1149.5604
 
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Names and Synonyms

  • Piperazinium, 1,4-dimethyl-1,4-bis(2-(((4-methylmorpholinium-4-yl)methyl)thio)ethyl)-, salt with 4-methylbenzenesulfonic acid (1:4)

Registry Numbers

CAS Registry Number

  • 63917-38-4

System Generated Number

  • 0063917384

Molecular Formulas

Molecular Formula

  • C22-H48-N4-O2-S2.4C7-H7-O3-S

Molecular Formula Fragments

  • C22-H48-N4-O2-S2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H48N4O2S2.4C7H8O3S/c1-23(13-19-29-21-25(3)9-15-27-16-10-25)5-7-24(2,8-6-23)14-20-30-22-26(4)11-17-28-18-12-26;4*1-6-2-4-7(5-3-6)11(8,9)10/h5-22H2,1-4H3;4*2-5H,1H3,(H,8,9,10)/q+4;;;;/p-4

InChIKey

VYEDHJIHROEAGS-UHFFFAOYSA-J

Smiles

Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].C[N+]1(CC[N+](CC1)(C)CCSC[N+]2(CCOCC2)C)CCSC[N+]3(CCOCC3)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 40mg/kg (40mg/kg)   National Technical Information Service. Vol. AD691-490,