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Substance Name: Isoquinolinium, 2-dodecyl-, p-toluenesulfonate
RN: 5412-37-3
InChIKey: SZDIFSKUQQLAMT-UHFFFAOYSA-M

Molecular Formula

  • C21-H32-N.C7-H7-O3-S

Molecular Weight

  • 469.686
 
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Names and Synonyms

Synonyms

  • 2-Dodecylisoquinolinium p-toluenesulfonate
  • Isoquinolinium, 2-dodecyl-, p-toluenesulfonate
  • NSC 4486

Systematic Names

  • Isoquinolinium, 2-dodecyl-, p-toluenesulfonate
  • Isoquinolinium, 2-dodecyl-, salt with 4-methylbenzenesulfonic acid (1:1) (9CI)

Registry Numbers

CAS Registry Number

  • 5412-37-3

System Generated Number

  • 0005412373

Molecular Formulas

Molecular Formula

  • C21-H32-N.C7-H7-O3-S

Molecular Formula Fragments

  • C21-H32-N
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H32N.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-13-17-22-18-16-20-14-11-12-15-21(20)19-22;1-6-2-4-7(5-3-6)11(8,9)10/h11-12,14-16,18-19H,2-10,13,17H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

SZDIFSKUQQLAMT-UHFFFAOYSA-M

Smiles

c12c(cc[n+](c1)CCCCCCCCCCCC)cccc2.c1(ccc(C)cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 3900ug/kg (3.9mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 374, 1954.