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Substance Name: BMY 40062 methanesulfonate
RN: 125277-78-3
InChIKey: MJNOUMJYXASFCR-FJYJDOHQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-F-N4-O3.C-H4-O3-S

Molecular Weight

  • 456.4925
 
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Names and Synonyms

Results Name

  • BMY 40062 methanesulfonate

Synonym

  • BMY 40062 methanesulfonate

Systematic Name

  • 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)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 125277-78-3

System Generated Number

  • 0125277783

Molecular Formulas

Molecular Formula

  • C18-H21-F-N4-O3.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C18-H21-F-N4-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21FN4O3.CH4O3S/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;1-5(2,3)4/h5,8-10,20H,4,6-7H2,1-3H3,(H,25,26);1H3,(H,2,3,4)/t9?,10-;/m1./s1

InChIKey

MJNOUMJYXASFCR-FJYJDOHQSA-N

Smiles

CC(C)(C)N1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3CC4C[C@H]3CN4.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 303mg/kg (303mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 1344, 1990.
mouse LD50 oral 5gm/kg (5000mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 1344, 1990.