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Substance Name: 2-Furanpropanethiol, tetrahydro-S-(2-dimethylaminoethyl)-beta-(1-naphthylmethyl)-, oxalate
RN: 15224-79-0
InChIKey: AGZTZOLSVDCJJB-UHFFFAOYSA-N

Molecular Formula

  • C22-H31-N-O-S.C2-H2-O4

Molecular Weight

  • 447.593
 
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Names and Synonyms

Synonyms

  • 1-Naphthalenepropanethiol, S-(2-dimethylaminoethyl)-beta-(tetrahydrofurfuryl)-, oxalate
  • S-(2-Dimethylaminoethyl)-beta-(tetrahydrofurfuryl)-1-naphthalenepropanethiol oxalate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 15224-79-0

System Generated Number

  • 0015224790

Molecular Formulas

Molecular Formula

  • C22-H31-N-O-S.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C22-H31-N-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H31NOS.C2H2O4/c1-23(2)12-14-25-17-18(16-21-10-6-13-24-21)15-20-9-5-8-19-7-3-4-11-22(19)20;3-1(4)2(5)6/h3-5,7-9,11,18,21H,6,10,12-17H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

AGZTZOLSVDCJJB-UHFFFAOYSA-N

Smiles

c12c(C[C@@H](C[C@@H]3CCCO3)CSCC[NH+](C)C)cccc1cccc2.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 37mg/kg (37mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 121, 1968.