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Substance Name: 2-Furanpropanethiol, tetrahydro-S-(2-diethylaminoethyl)-beta-(1-naphthylmethyl)-, oxalate
RN: 15161-61-2
InChIKey: FMXCXQKWRSLFLM-UHFFFAOYSA-N

Molecular Formula

  • C24-H35-N-O-S.C2-H2-O4

Molecular Weight

  • 475.646
 
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Names and Synonyms

Synonyms

  • 1-Naphthalenepropanethiol, S-(2-diethylaminoethyl)-beta-(tetrahydrofurfuryl)-, oxalate
  • S-(2-Diethylaminoethyl)-beta-(tetrahydrofurfuryl)-1-naphthalenepropanethiol oxalate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 15161-61-2

System Generated Number

  • 0015161612

Molecular Formulas

Molecular Formula

  • C24-H35-N-O-S.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C24-H35-N-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C24H35NOS.C2H2O4/c1-3-22(25-2)13-15-27-18-19(17-23-11-7-14-26-23)16-21-10-6-9-20-8-4-5-12-24(20)21;3-1(4)2(5)6/h4-6,8-10,12,19,22-23,25H,3,7,11,13-18H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

FMXCXQKWRSLFLM-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 121, 1968.