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Substance Name: 2-Furanpropanethiol, tetrahydro-S-(2-dimethylaminoethyl)-beta-(1-naphthyl)-, oxalate
RN: 15224-80-3
InChIKey: ACNFWMRLRDDRFY-UHFFFAOYSA-N

Molecular Formula

  • C21-H29-N-O-S.C2-H2-O4

Molecular Weight

  • 433.566
 
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Names and Synonyms

Synonyms

  • 1-Naphthaleneethanethiol, S-(2-dimethylaminoethyl)-beta-(tetrahydrofurfuryl)-, oxalate
  • S-(2-Dimethylaminoethyl)-beta-(tetrahydrofurfuryl)-1-naphthaleneethanethiol oxalate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 15224-80-3

System Generated Number

  • 0015224803

Molecular Formulas

Molecular Formula

  • C21-H29-N-O-S.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C21-H29-N-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H29NOS.C2H2O4/c1-22(2)12-14-24-16-18(15-19-9-6-13-23-19)21-11-5-8-17-7-3-4-10-20(17)21;3-1(4)2(5)6/h3-5,7-8,10-11,18-19H,6,9,12-16H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

ACNFWMRLRDDRFY-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 42mg/kg (42mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 121, 1968.