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Defluoro Levofloxacin-d3

CAT: 0572-TRC-D229022-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D229022-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1329836-14-7
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])N1CCN(CC1)c2ccc3C(=O)C(=CN4[C@@H](C)COc2c34)C(=O)O
Molecular Formula
C18 D3 H18 N3 O4
Molecular Weight
346.396
InChI
InChI=1S/C18H21N3O4/c1-11-10-25-17-14(20-7-5-19(2)6-8-20)4-3-12-15(17)21(11)9-13(16(12)22)18(23)24/h3-4,9,11H,5-8,10H2,1-2H3,(H,23,24)/t11-/m0/s1/i2D3
Additionnal Information
IUPAC name: (2S)-2-methyl-10-oxo-6-[4-(trideuteriomethyl)piperazin-1-yl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
Shipping Conditions
Room Temperature

Chemical Information

Defluoro Levofloxacin-d3
CAS Number1329836-14-7
PubChem CID71315280
IUPAC Name(2S)-2-methyl-10-oxo-6-[4-(trideuteriomethyl)piperazin-1-yl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
Molecular FormulaC18H21N3O4
Molecular Weight346.4
XLogP-0.5
Topological Polar Surface Area73.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity599
SMILES
[2H]C([2H])([2H])N1CCN(CC1)C2=C3C4=C(C=C2)C(=O)C(=CN4[C@H](CO3)C)C(=O)O
InChI
InChI=1S/C18H21N3O4/c1-11-10-25-17-14(20-7-5-19(2)6-8-20)4-3-12-15(17)21(11)9-13(16(12)22)18(23)24/h3-4,9,11H,5-8,10H2,1-2H3,(H,23,24)/t11-/m0/s1/i2D3
InChIKey
ANLIAKDHRADSBT-XTRIYBSESA-N
Chemical Structure
2D Structure
2D structure of Defluoro Levofloxacin-d3
CAS: 1329836-14-7
CID: 71315280
Formula: C18H21N3O4
MW: 346.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.4
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass346.17203640
Monoisotopic Mass346.17203640
Topological Polar Surface Area73.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity599
Isotope Atom Count3
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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