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Substance Name: 3H-Indolo(3,2,1-de)(1,5)naphthyridine-3-propanoic acid, 1,2,3a,4,5,6-hexahydro-6-oxo-, methyl ester monomethanesulfonate
RN: 65285-11-2
InChIKey: SVZPBUPCWVCESK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N2-O3.C-H3-O4-S

Molecular Weight

  • 408.4726
 
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Names and Synonyms

  • 3H-Indolo(3,2,1-de)(1,5)naphthyridine-3-propanoic acid, 1,2,3a,4,5,6-hexahydro-6-oxo-, methyl ester monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 65285-11-2

System Generated Number

  • 0065285112

Molecular Formulas

Molecular Formula

  • C18-H20-N2-O3.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C18-H20-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C18H20N2O3.CH4O3S/c1-23-17(22)9-11-19-10-8-13-12-4-2-3-5-14(12)20-16(21)7-6-15(19)18(13)20;1-5(2,3)4/h2-5,15H,6-11H2,1H3;1H3,(H,2,3,4)

InChIKey

SVZPBUPCWVCESK-UHFFFAOYSA-N

Smiles

COC(=O)CCN1CCc2c3ccccc3n4c2C1CCC4=O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 680mg/kg (680mg/kg)   United States Patent Document. Vol. #4190657,
mouse LD50 intravenous 103mg/kg (103mg/kg)   United States Patent Document. Vol. #4190657,