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Substance Name: 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-
RN: 21140-78-3
InChIKey: SGBMONPIFGUIBY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N-O4-S

Molecular Weight

  • 347.433
 
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Names and Synonyms

Synonyms

  • 1,2,3,4-Tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-6,7-isoquinolinediol
  • 5-21-05-00596 (Beilstein Handbook Reference)
  • BRN 1507907

Systematic Name

  • 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 21140-78-3

System Generated Number

  • 0021140783

Structure Descriptors

InChI

1S/C18H21NO4S/c1-11(2)24(22,23)14-6-3-12(4-7-14)18-15-8-5-13(20)9-16(15)17(21)10-19-18/h3-9,11,17-21H,10H2,1-2H3

InChIKey

SGBMONPIFGUIBY-UHFFFAOYSA-N

Smiles

c12[C@@H](c3ccc(S(C(C)C)(=O)=O)cc3)NC[C@@H](c1cc(O)cc2)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2500mg/kg (2500mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1023, 1968.