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Substance Name: 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-
RN: 116163-01-0
InChIKey: NEKSSSDVZISHLK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-F-N4-O3

Molecular Weight

  • 348.376
 
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Names and Synonyms

Synonyms

  • 7-(3-Amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid
  • BMY 40868

Systematic Name

  • 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-

Registry Numbers

CAS Registry Number

  • 116163-01-0

System Generated Number

  • 0116163010

Structure Descriptors

InChI

1S/C17H21FN4O3/c1-17(2,3)22-8-11(16(24)25)13(23)10-6-12(18)15(20-14(10)22)21-5-4-9(19)7-21/h6,8-9H,4-5,7,19H2,1-3H3,(H,24,25)

InChIKey

NEKSSSDVZISHLK-UHFFFAOYSA-N

Smiles

n1(cc(c(c2cc(c(nc12)N1C[C@@H](CC1)N)F)=O)C(=O)O)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 518, 1992.
mouse LD50 oral 350mg/kg (350mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 518, 1992.