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Substance Name: 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-7-(3-(1-(ethylamino)ethyl)-1-pyrrolidinyl)-6-fluoro-4-oxo-8-(trifluoromethyl)-, (S-(R*,S*))-
RN: 143382-88-1
InChIKey: KRRFNOYEJSQDRL-NWDGAFQWSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C22-H25-F4-N3-O3

Molecular Weight

  • 455.4495
 
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Names and Synonyms

Synonym

  • (S-(R,S))-1-Cyclopropyl-7-(3-(1-(ethylamino)ethyl)-1-pyrrolidinyl)-6-fluoro-1,4-dihydro-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid

Systematic Name

  • 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-7-(3-(1-(ethylamino)ethyl)-1-pyrrolidinyl)-6-fluoro-4-oxo-8-(trifluoromethyl)-, (S-(R*,S*))-

Registry Numbers

CAS Registry Number

  • 143382-88-1

System Generated Number

  • 0143382881

Structure Descriptors

InChI

1S/C22H25F4N3O3/c1-3-27-11(2)12-6-7-28(9-12)19-16(23)8-14-18(17(19)22(24,25)26)29(13-4-5-13)10-15(20(14)30)21(31)32/h8,10-13,27H,3-7,9H2,1-2H3,(H,31,32)/t11-,12+/m0/s1

InChIKey

KRRFNOYEJSQDRL-NWDGAFQWSA-N

Smiles

CCN[C@@H](C)[C@@H]1CCN(C1)c2c(cc3c(c2C(F)(F)F)n(cc(c3=O)C(=O)O)C4CC4)F