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Substance Name: BMY 40062
RN: 116143-32-9
InChIKey: KNHLHFDFFDCJJR-NXEZZACHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-F-N4-O3

Molecular Weight

  • 360.3869
 
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Names and Synonyms

Name of Substance

  • BMY 40062

Synonyms

  • BMY 40062
  • BRN 3656425

Systematic Names

  • 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(2,5-diazabicyclo(2.2.1)hept-2-yl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (1R)-
  • 1,8-Naphthyridine-3-carboxylic acid, 7-(2,5-diazabicyclo(2.2.1)hept-2-yl)-1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-4-oxo-, (1R)-

Registry Numbers

CAS Registry Number

  • 116143-32-9

System Generated Number

  • 0116143329

Structure Descriptors

InChI

1S/C18H21FN4O3/c1-18(2,3)23-8-12(17(25)26)14(24)11-5-13(19)16(21-15(11)23)22-7-9-4-10(22)6-20-9/h5,8-10,20H,4,6-7H2,1-3H3,(H,25,26)/t9-,10-/m1/s1

InChIKey

KNHLHFDFFDCJJR-NXEZZACHSA-N

Smiles

CC(C)(C)N1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3C[C@H]4C[C@@H]3CN4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 303mg/kg (303mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 2898, 1992.
mouse LD50 oral 5gm/kg (5000mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 2898, 1992.
rat LD oral > 1gm/kg (1000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 43, Pg. 56, 1993.