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Substance Name: 2-Furanpropanethiol, tetrahydro-S-(2-diethylaminoethyl)-beta-(1-naphthyl)-, oxalate
RN: 73839-68-6
InChIKey: VAYHNSMCAXAJFB-UHFFFAOYSA-N

Molecular Formula

  • C23-H33-N-O-S.C2-H2-O4

Molecular Weight

  • 461.62
 
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Names and Synonyms

Synonyms

  • 1-Naphthaleneethanethiol, S-(2-diethylaminoethyl)-beta-(tetrahydrofurfuryl)-, oxalate
  • S-(2-Diethylaminoethyl)-beta-(tetrahydrofurfuryl)-1-naphthaleneethanethiol oxalate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 73839-68-6

System Generated Number

  • 0073839686

Molecular Formulas

Molecular Formula

  • C23-H33-N-O-S.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C23-H33-N-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C23H33NOS.C2H2O4/c1-3-24(4-2)14-16-26-18-20(17-21-11-8-15-25-21)23-13-7-10-19-9-5-6-12-22(19)23;3-1(4)2(5)6/h5-7,9-10,12-13,20-21H,3-4,8,11,14-18H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

VAYHNSMCAXAJFB-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 121, 1968.