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191470-04-9 | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-amino-8-oxo-, (6R-trans)-, mono[1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate] (9CI)
CAS No: 191470-04-9 Catalog No: AG002F9P MDL No:
Product Description
Catalog Number:
AG002F9P
Chemical Name:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-amino-8-oxo-, (6R-trans)-, mono[1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate] (9CI)
CAS Number:
191470-04-9
IUPAC Name:
(6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C19H22FN3O3.C10H12N2O5S/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12;1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h9-12H,2-8H2,1H3,(H,25,26);6,9H,2-3,11H2,1H3,(H,15,16)/t;6-,9-/m.1/s1
InChI Key:
QYNCYCBEKLWRJN-JRHRPUMJSA-N
Properties
Complexity:
1070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
631.211g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
631.676g/mol
Monoisotopic Mass:
631.211g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
199A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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