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Defluoro Levofloxacin

CAT: 0931-TXB-00080-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TXB-00080-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
117620-85-6
Bioactivity
Defluoro Levofloxacin is a reagent used in biochemical reactions.
Smiles
O=C(C(C1=O)=CN2[C@@H](C)COC3=C(N4CCN(C)CC4)C=CC1=C23)O
Molecular Formula
C18H21N3O4
Molecular Weight
343.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

9-Desfluoro levofloxacin
CAS Number117620-85-6
PubChem CID23651701
IUPAC Name(2S)-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
Molecular FormulaC18H21N3O4
Molecular Weight343.4
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
C[C@H]1COC2=C(C=CC3=C2N1C=C(C3=O)C(=O)O)N4CCN(CC4)C
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
InChIKey
ANLIAKDHRADSBT-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of 9-Desfluoro levofloxacin
CAS: 117620-85-6
CID: 23651701
Formula: C18H21N3O4
MW: 343.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.4
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass343.15320616
Monoisotopic Mass343.15320616
Topological Polar Surface Area73.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity599
Isotope Atom Count0
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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Alternative Products

CatalogName
TRC-D229020-1MGDefluoro Levofloxacin
TRC-D229022-100MGDefluoro Levofloxacin-d3
HY-134226RDefluoro Levofloxacin (Standard)
AR-L13548-01Levofloxacin EP Impurity D (Levofloxacin USP Related Compound F, Defluoro Levofloxacin)
TRC-D229040-100MG9-Defluoro-9-(4-methyl-1-piperazinyl) Levofloxacin
TRC-D228590-25MGDefluoro-MDV 3100 (Defluoro-enzalutamide)
B1959-5.1Levofloxacin

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