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Substance Name: 1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-5-(p-(isopropylsulfonyl)phenyl)-
RN: 20884-95-1
InChIKey: SRKFWJCAFAQJMD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-N-O4-S

Molecular Weight

  • 359.444
 
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Names and Synonyms

Synonyms

  • 1,2,3,4-Tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-6,7-methylenedioxyisoquinoline
  • 5,6,7,8-Tetrahydro-5-(p-(isopropylsulfonyl)phenyl)-1,3-dioxolo(4,5-g)isoquinoline
  • BRN 1604858

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 20884-95-1

System Generated Number

  • 0020884951

Structure Descriptors

InChI

1S/C19H21NO4S/c1-12(2)25(21,22)15-5-3-13(4-6-15)19-16-10-18-17(23-11-24-18)9-14(16)7-8-20-19/h3-6,9-10,12,19-20H,7-8,11H2,1-2H3

InChIKey

SRKFWJCAFAQJMD-UHFFFAOYSA-N

Smiles

c12[C@@H](c3ccc(S(C(C)C)(=O)=O)cc3)NCCc1cc1OCOc1c2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1023, 1968.