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Substance Name: 1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-5-(p-(isopropylsulfonyl)phenyl)-6-methyl-, hydrochloride
RN: 20884-96-2
InChIKey: UVRFRNVXHPQSKC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N-O4-S.Cl-H

Molecular Weight

  • 409.932
 
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Names and Synonyms

  • 1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-5-(p-(isopropylsulfonyl)phenyl)-6-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 20884-96-2

System Generated Number

  • 0020884962

Molecular Formulas

Molecular Formula

  • C20-H23-N-O4-S.Cl-H

Molecular Formula Fragments

  • C20-H23-N-O4-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23NO4S.ClH/c1-13(2)26(22,23)16-6-4-14(5-7-16)20-17-11-19-18(24-12-25-19)10-15(17)8-9-21(20)3;/h4-7,10-11,13,20H,8-9,12H2,1-3H3;1H

InChIKey

UVRFRNVXHPQSKC-UHFFFAOYSA-N

Smiles

c12[C@@H](c3ccc(S(C(C)C)(=O)=O)cc3)[N@@H+](CCc1cc1OCOc1c2)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1023, 1968.