Home Other Building Blocks 8-Ethoxymoxifloxacin

8-Ethoxymoxifloxacin

CAS No.:
1029364-75-7
Catalog Number:
AG007J1V
Molecular Formula:
C22H26FN3O4
Molecular Weight:
415.4579
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Product Description
Catalog Number:
AG007J1V
Chemical Name:
8-Ethoxymoxifloxacin
CAS Number:
1029364-75-7
Molecular Formula:
C22H26FN3O4
Molecular Weight:
415.4579
MDL Number:
MFCD20921977
IUPAC Name:
7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C22H26FN3O4/c1-2-30-21-18-14(20(27)15(22(28)29)10-26(18)13-5-6-13)8-16(23)19(21)25-9-12-4-3-7-24-17(12)11-25/h8,10,12-13,17,24H,2-7,9,11H2,1H3,(H,28,29)/t12-,17+/m0/s1
InChI Key:
BFYROJNBHUWYDU-YVEFUNNKSA-N
SMILES:
CCOc1c(N2C[C@@H]3[C@H](C2)CCCN3)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1
UNII:
7UM832365E
Properties
Complexity:
742  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
415.191g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
415.465g/mol
Monoisotopic Mass:
415.191g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties