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1216659-54-9 | Ciprofloxacin-d8, Hydrochloride
CAS No: 1216659-54-9 Catalog No: AG0015J6 MDL No:
Product Description
Catalog Number:
AG0015J6
Chemical Name:
Ciprofloxacin-d8, Hydrochloride
CAS Number:
1216659-54-9
Molecular Formula:
C17H11ClD8FN3O3
Molecular Weight:
375.8518
IUPAC Name:
1-cyclopropyl-6-fluoro-7-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C17H18FN3O3.ClH/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;/h7-10,19H,1-6H2,(H,23,24);1H/i3D2,4D2,5D2,6D2;
InChI Key:
DIOIOSKKIYDRIQ-JCYLEXHWSA-N
SMILES:
Fc1cc2c(cc1N1C([2H])([2H])C([2H])([2H])NC(C1([2H])[2H])([2H])[2H])n(cc(c2=O)C(=O)O)C1CC1.Cl
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.16g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
8
Molecular Weight:
375.854g/mol
Monoisotopic Mass:
375.16g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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