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Substance Name: 1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, diacetate (ester), trifluoroacetate
RN: 57638-92-3
InChIKey: LTUFRDNXQVHZBC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N-O4.C2-H-F3-O2

Molecular Weight

  • 417.3778
 
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Names and Synonyms

Synonym

  • 7,8-Diacetoxy-N-methyl-1,2,3,4-tetrahydro-cyclopentano(f)isoquinoline trifluoroacetate

Systematic Name

  • 1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, diacetate (ester), trifluoroacetate

Registry Numbers

CAS Registry Number

  • 57638-92-3

System Generated Number

  • 0057638923

Molecular Formulas

Molecular Formula

  • C17-H21-N-O4.C2-H-F3-O2

Molecular Formula Fragments

  • C17-H21-N-O4
  • C2-H-F3-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C17H21NO4.C2HF3O2/c1-10(19)21-16-14-6-4-5-12(14)13-7-8-18(3)9-15(13)17(16)22-11(2)20;3-2(4,5)1(6)7/h4-9H2,1-3H3;(H,6,7)

InChIKey

LTUFRDNXQVHZBC-UHFFFAOYSA-N

Smiles

CC(=O)Oc1c2c(c3c(c1OC(=O)C)CN(CC3)C)CCC2.C(=O)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 1378, 1977.