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Substance Name: Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(p-chlorophenyl)-, maleate
RN: 53462-73-0
InChIKey: YEHVKIYFNWNGHQ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H13-Cl-N2.C4-H4-O4

Molecular Weight

  • 384.8173
 
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Names and Synonyms

Synonym

  • 1,3,4,5-Tetrahydro-3-(p-chlorophenyl)pyrrolo(4,3,2-de)isoquinoline maleate

Systematic Name

  • Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(p-chlorophenyl)-, maleate

Registry Numbers

CAS Registry Number

  • 53462-73-0

System Generated Number

  • 0053462730

Molecular Formulas

Molecular Formula

  • C16-H13-Cl-N2.C4-H4-O4

Molecular Formula Fragments

  • C16-H13-Cl-N2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H13ClN2.C4H4O4/c17-12-6-4-10(5-7-12)16-13-9-18-14-3-1-2-11(8-19-16)15(13)14;5-3(6)1-2-4(7)8/h1-7,9,16,18-19H,8H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

YEHVKIYFNWNGHQ-WLHGVMLRSA-N

Smiles

c1cc2c3c(c1)[nH]cc3C(NC2)c4ccc(cc4)Cl.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 88mg/kg (88mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 1140, 1974.