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Substance Name: 1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-(1-methylethyl)-3-((2,4,6-trimethylphenyl)amino)-, iodide, (+-)-
RN: 105892-07-7
InChIKey: VFARQUVXYAYZST-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H31-N2-O.I

Molecular Weight

  • 406.3449
 
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Names and Synonyms

  • 1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-(1-methylethyl)-3-((2,4,6-trimethylphenyl)amino)-, iodide, (+-)-

Registry Numbers

CAS Registry Number

  • 105892-07-7

System Generated Number

  • 0105892077

Molecular Formulas

Molecular Formula

  • C17-H31-N2-O.I

Molecular Formula Fragments

  • C17-H31-N2-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C17H31N2O.HI/c1-12(2)19(6,7)11-16(20)10-18-17-14(4)8-13(3)9-15(17)5;/h8-9,12,16,18,20H,10-11H2,1-7H3;1H/q+1;/p-1

InChIKey

VFARQUVXYAYZST-UHFFFAOYSA-M

Smiles

Cc1cc(c(c(c1)C)NCC(C[N+](C)(C)C(C)C)O)C.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 76600ug/kg (76.6mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 400, 1986.