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Substance Name: 6,7-Isoquinolinediol, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-, hydrobromide
RN: 20884-93-9
InChIKey: HQGVXPSXRFLOEH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-N-O4-S.Br-H

Molecular Weight

  • 426.329
 
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Names and Synonyms

Synonym

  • 3,4-Dihydro-1-(p-(isopropylsulfonyl)phenyl)-6,7-isoquinolinediol hydrobromide

Systematic Name

  • 6,7-Isoquinolinediol, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-, hydrobromide

Registry Numbers

CAS Registry Number

  • 20884-93-9

System Generated Number

  • 0020884939

Molecular Formulas

Molecular Formula

  • C18-H19-N-O4-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C18-H19-N-O4-S
  • COMPONENT

Structure Descriptors

InChI

1S/C18H19NO4S.BrH/c1-11(2)24(22,23)14-5-3-12(4-6-14)18-15-10-17(21)16(20)9-13(15)7-8-19-18;/h3-6,9-11,20-21H,7-8H2,1-2H3;1H

InChIKey

HQGVXPSXRFLOEH-UHFFFAOYSA-N

Smiles

C1(=NCCc2cc(c(cc12)O)O)c1ccc(cc1)S(=O)(=O)C(C)C.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 5gm/kg (5000mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1023, 1968.