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Substance Name: Piperidinium, 1-(3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)-1-methyl-, toluenesulfonate
RN: 67360-98-9
InChIKey: XZBVCKQTNHKIDI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H30-N-O2.C7-H7-O3-S

Molecular Weight

  • 512.6872
 
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Names and Synonyms

Synonyms

  • 1-(3-(2-(alpha-Hydroxybenzyl)-phenoxy)propyl)-1-methylpiperidinium toluenesulfonate
  • 2-(3-Piperidinopropoxy)benzhydrol methyl toluenesulfonate
  • Benzhydrol, 2-(3-piperidinopropoxy)-, methyl toluenesulfonate

Systematic Name

  • Piperidinium, 1-(3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)-1-methyl-, toluenesulfonate

Registry Numbers

CAS Registry Number

  • 67360-98-9

System Generated Number

  • 0067360989

Molecular Formulas

Molecular Formula

  • C22-H30-N-O2.C7-H7-O3-S

Molecular Formula Fragments

  • C22-H30-N-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H30NO2.C7H8O3S/c1-23(15-8-3-9-16-23)17-10-18-25-21-14-7-6-13-20(21)22(24)19-11-4-2-5-12-19;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-7,11-14,22,24H,3,8-10,15-18H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;

InChIKey

XZBVCKQTNHKIDI-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)O.C[N+]1(CCCCC1)CCCOc2ccccc2C(c3ccccc3)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 804, 1966.