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Substance Name: 1,3-Dioxolo(4,5-g)isoquinoline, 7,8-dihydro-5-(p-(isopropylsulfonyl)phenyl)-
RN: 20884-94-0
InChIKey: RBEMBKHIHHDIPM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H19-N-O4-S

Molecular Weight

  • 357.428
 
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Names and Synonyms

Synonyms

  • 3,4-Dihydro-1-(p-(isopropylsulfonyl)phenyl)-6,7-(methylenedioxy)isoquinoline
  • 7,8-Dihydro-5-(p-(isopropylsulfonyl)phenyl)-1,3-dioxolo(4,5-g)isoquinoline
  • BRN 1602123

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 20884-94-0

System Generated Number

  • 0020884940

Structure Descriptors

InChI

1S/C19H19NO4S/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/h3-6,9-10,12H,7-8,11H2,1-2H3

InChIKey

RBEMBKHIHHDIPM-UHFFFAOYSA-N

Smiles

c12C(c3ccc(S(C(C)C)(=O)=O)cc3)=NCCc1cc1OCOc1c2

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.