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Substance Name: Benzenemethanol, 4-((1-methylethyl)thio)-alpha-(1-(octylamino)propyl)-, hydrochloride
RN: 54789-96-7
InChIKey: TYLBTTFOONNAKG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H37-N-O-S.Cl-H

Molecular Weight

  • 388.0562
 
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Names and Synonyms

Synonym

  • 4-((1-Methylethyl)thio)-alpha-(1-(octylamino)propyl)benzenemethanol hydrochloride

Systematic Name

  • Benzenemethanol, 4-((1-methylethyl)thio)-alpha-(1-(octylamino)propyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 54789-96-7

System Generated Number

  • 0054789967

Molecular Formulas

Molecular Formula

  • C21-H37-N-O-S.Cl-H

Molecular Formula Fragments

  • C21-H37-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H37NOS.ClH/c1-5-7-8-9-10-11-16-22-20(6-2)21(23)18-12-14-19(15-13-18)24-17(3)4;/h12-15,17,20-23H,5-11,16H2,1-4H3;1H

InChIKey

TYLBTTFOONNAKG-UHFFFAOYSA-N

Smiles

CCCCCCCCNC(CC)C(c1ccc(cc1)SC(C)C)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 4gm/kg (4000mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2334404,