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Marbofloxacin-d8

CAT: 0572-TRC-M197002-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M197002-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1185053-37-5
Synonyms
9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl-2,2,3,3,5,5,6,6-d8)-7-oxo-7H-pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carboxylic acid; Marbofloxacin-D8 (piperazinyl-2,2,3,3,5,5,6,6-D8); Marbofloxacin-d8
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]C1([2H])N(C)C([2H])([2H])C([2H])([2H])N(c2c(F)cc3C(=O)C(=CN4N(C)COc2c34)C(=O)O)C1([2H])[2H]
Molecular Formula
C17 2H8 H11 F N4 O4
Molecular Weight
370.4
InChI
InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)/i3D2,4D2,5D2,6D2
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Marbofloxacin-d8
CAS Number1185053-37-5
PubChem CID46782103
IUPAC Name7-fluoro-2-methyl-6-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Molecular FormulaC17H19FN4O4
Molecular Weight370.40
XLogP-0.5
Topological Polar Surface Area76.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity636
SMILES
[2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])C2=C(C=C3C4=C2OCN(N4C=C(C3=O)C(=O)O)C)F)([2H])[2H])[2H]
InChI
InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)/i3D2,4D2,5D2,6D2
InChIKey
BPFYOAJNDMUVBL-SQUIKQQTSA-N
Chemical Structure
2D Structure
2D structure of Marbofloxacin-d8
CAS: 1185053-37-5
CID: 46782103
Formula: C17H19FN4O4
MW: 370.40
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.40
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass370.18924723
Monoisotopic Mass370.18924723
Topological Polar Surface Area76.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity636
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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