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Substance Name: 1-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1)
RN: 4795-12-4
InChIKey: KZYHHRLSYCKZOK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N-O-S2.C2-H2-O4

Molecular Weight

  • 461.6
 
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Names and Synonyms

Synonyms

  • 1,1-Di-2-thienyl-2-methyl-3-(methylphenethylamino)-1-propanol oxalate
  • 2-Methyl-3-(methylphenethylamino)-1,1-di-2-thienyl-1-propanol oxalate

Systematic Name

  • 1-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1)

Registry Numbers

CAS Registry Number

  • 4795-12-4

System Generated Number

  • 0004795124

Molecular Formulas

Molecular Formula

  • C21-H25-N-O-S2.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C21-H25-N-O-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25NOS2.C2H2O4/c1-17(16-22(2)13-12-18-8-4-3-5-9-18)21(23,19-10-6-14-24-19)20-11-7-15-25-20;3-1(4)2(5)6/h3-11,14-15,17,23H,12-13,16H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

KZYHHRLSYCKZOK-UHFFFAOYSA-N

Smiles

C(c1cccs1)(c1cccs1)([C@@H](C)C[N@@](CCc1ccccc1)C)O.C(C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 1500mg/kg (1500mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 836, 1965.