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Substance Name: 2-Furanpropanethiol, tetrahydro-beta-(1-naphthylmethyl)-S-(2-piperidinoethyl)-, oxalate
RN: 15272-28-3
InChIKey: PCMQZBHZZIADHZ-UHFFFAOYSA-N

Molecular Formula

  • C25-H35-N-O-S.C2-H2-O4

Molecular Weight

  • 487.657
 
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Names and Synonyms

Synonym

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

Systematic Name

  • 2-Furanpropanethiol, tetrahydro-beta-(1-naphthylmethyl)-S-(2-piperidinoethyl)-, oxalate

Registry Numbers

CAS Registry Number

  • 15272-28-3

System Generated Number

  • 0015272283

Molecular Formulas

Molecular Formula

  • C25-H35-N-O-S.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C25-H35-N-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C25H35NOS.C2H2O4/c1-2-12-25-21(7-1)8-5-9-22(25)17-20(18-24-11-6-15-27-24)19-28-16-13-23-10-3-4-14-26-23;3-1(4)2(5)6/h1-2,5,7-9,12,20,23-24,26H,3-4,6,10-11,13-19H2;(H,3,4)(H,5,6)

InChIKey

PCMQZBHZZIADHZ-UHFFFAOYSA-N

Smiles

c1(c2c(cccc2)ccc1)C[C@@H](C[C@@H]1CCCO1)CSCC[C@@H]1CCCC[NH2+]1.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25mg/kg (25mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 121, 1968.