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Substance Name: 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-((5-hydroxy-3-indolyl)methyl)-, (E)-2-butenedioate (1:1) salt
RN: 70265-29-1
InChIKey: BIZPUYDFWNCCND-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-N2-O3.C4-H4-O4

Molecular Weight

  • 426.4228
 
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Names and Synonyms

Synonym

  • Fumarate d'((hydroxy-5' indolyl-3') methyl)-1 tetrahydro-1,2,3,4 isoquinoleine diol-6,7

Systematic Name

  • 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-((5-hydroxy-3-indolyl)methyl)-, (E)-2-butenedioate (1:1) salt

Registry Numbers

CAS Registry Number

  • 70265-29-1

System Generated Number

  • 0070265291

Molecular Formulas

Molecular Formula

  • C18-H18-N2-O3.C4-H4-O4

Molecular Formula Fragments

  • C18-H18-N2-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H18N2O3.C4H4O4/c21-12-1-2-15-13(7-12)11(9-20-15)5-16-14-8-18(23)17(22)6-10(14)3-4-19-16;5-3(6)1-2-4(7)8/h1-2,6-9,16,19-23H,3-5H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

BIZPUYDFWNCCND-WLHGVMLRSA-N

Smiles

c1cc2c(cc1O)c(c[nH]2)CC3c4cc(c(cc4CCN3)O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Annales Pharmaceutiques Francaises. Vol. 36, Pg. 401, 1978.