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Substance Name: 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-hydroxyphenyl)-, hexanedioate (1:1)
RN: 93203-03-3
InChIKey: CPNCKFLCWPDSLK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H15-N-O3.C6-H10-O4

Molecular Weight

  • 403.428
 
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Names and Synonyms

Synonym

  • 1,2,3,4-Tetrahydro-1-(4-hydroxyphenyl)-4,6-isoquinolinediol hexanedioate

Systematic Name

  • 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-hydroxyphenyl)-, hexanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 93203-03-3

System Generated Number

  • 0093203033

Molecular Formulas

Molecular Formula

  • C15-H15-N-O3.C6-H10-O4

Molecular Formula Fragments

  • C15-H15-N-O3
  • C6-H10-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C15H15NO3.C6H10O4/c17-10-3-1-9(2-4-10)15-12-6-5-11(18)7-13(12)14(19)8-16-15;7-5(8)3-1-2-4-6(9)10/h1-7,14-19H,8H2;1-4H2,(H,7,8)(H,9,10)

InChIKey

CPNCKFLCWPDSLK-UHFFFAOYSA-N

Smiles

c12[C@@H](c3ccc(O)cc3)[NH2+]C[C@@H](c1cc(cc2)O)O.C(CCC(=O)[O-])CC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 2630mg/kg (2630mg/kg)   Pharmaceutical Chemistry Journal Vol. 18, Pg. 262, 1984.