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Substance Name: 2-Furanpropanethiol, tetrahydro-beta-(1-naphthyl)-5-(2-piperidinoethyl)-, oxalate
RN: 15161-65-6
InChIKey: AUVFBVJLDSKFHU-UHFFFAOYSA-N

Molecular Formula

  • C24-H33-N-O-S.C2-H2-O4

Molecular Weight

  • 473.63
 
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Names and Synonyms

Synonym

  • 1-Naphthaleneethanethiol, S-(2-piperidinoethyl)-beta-(tetrahydrofurfuryl)-, oxalate

Systematic Name

  • 2-Furanpropanethiol, tetrahydro-beta-(1-naphthyl)-5-(2-piperidinoethyl)-, oxalate

Registry Numbers

CAS Registry Number

  • 15161-65-6

System Generated Number

  • 0015161656

Molecular Formulas

Molecular Formula

  • C24-H33-N-O-S.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C24-H33-N-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C24H33NOS.C2H2O4/c27-18-20(24-10-6-8-19-7-2-3-9-23(19)24)17-22-12-11-21(26-22)13-16-25-14-4-1-5-15-25;3-1(4)2(5)6/h2-3,6-10,20-22,27H,1,4-5,11-18H2;(H,3,4)(H,5,6)

InChIKey

AUVFBVJLDSKFHU-UHFFFAOYSA-N

Smiles

c1(c2c(ccc1)cccc2)[C@@H](C[C@@H]1O[C@@H](CC[NH+]2CCCCC2)CC1)CS.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 45mg/kg (45mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 121, 1968.