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Ciprofloxacin-d8 HCl

CAT: 1596-AR-O01104-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-O01104-01Size:10 Units
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CAS Number
1216659-54-9
Synonyms
1-cyclopropyl-6-fluoro-4-oxo-7- (piperazin-1-yl-2,2,3,3,5,5,6,6-d8) -1,4-dihydroquinoline-3-carboxylic acid, hydrochloride (1:1)
Molecular Formula
C17H10FN3O3D8; HCl
Molecular Weight
339.40; 36.46
API Name
Ciprofloxacin

Chemical Information

1-Cyclopropyl-6-fluoro-4-oxo-7-((2,2,3,3,5,5,6,6-~2~H_8_)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid--hydrogen chloride (1/1)
CAS Number1216659-54-9
PubChem CID49849586
IUPAC Name1-cyclopropyl-6-fluoro-7-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
Molecular FormulaC17H19ClFN3O3
Molecular Weight375.8
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity571
SMILES
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)([2H])[2H])[2H].Cl
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;
InChIKey
DIOIOSKKIYDRIQ-JCYLEXHWSA-N
Chemical Structure
2D Structure
2D structure of 1-Cyclopropyl-6-fluoro-4-oxo-7-((2,2,3,3,5,5,6,6-~2~H_8_)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid--hydrogen chloride (1/1)
CAS: 1216659-54-9
CID: 49849586
Formula: C17H19ClFN3O3
MW: 375.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight375.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass375.1601113
Monoisotopic Mass375.1601113
Topological Polar Surface Area72.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity571
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes