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Nemonoxacin

CAT: 1596-AR-N08392-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N08392-02Size:25 Units
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CAS Number
378746-64-6
Molecular Formula
C11H8O3
Molecular Weight
371.44
API Name
Nemonoxacin

Chemical Information

Nemonoxacin

Nemonoxacin is a member of quinolines.

CAS Number378746-64-6
PubChem CID11993740
IUPAC Name7-[(3S,5S)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC20H25N3O4
Molecular Weight371.4
XLogP0.4
Topological Polar Surface Area96.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity647
SMILES
C[C@H]1C[C@@H](CN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC)N
InChI
InChI=1S/C20H25N3O4/c1-11-7-12(21)9-22(8-11)16-6-5-14-17(19(16)27-2)23(13-3-4-13)10-15(18(14)24)20(25)26/h5-6,10-13H,3-4,7-9,21H2,1-2H3,(H,25,26)/t11-,12-/m0/s1
InChIKey
AVPQPGFLVZTJOR-RYUDHWBXSA-N
Chemical Structure
2D Structure
2D structure of Nemonoxacin
CAS: 378746-64-6
CID: 11993740
Formula: C20H25N3O4
MW: 371.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.4
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass371.18450629
Monoisotopic Mass371.18450629
Topological Polar Surface Area96.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity647
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA1070-1Nemonoxacin
HY-111023-01Nemonoxacin (malate)
GTR19238553-01Nemonoxacin Malate
HY-14956RNemonoxacin (Standard)
HY-14956S2Nemonoxacin-d4
HY-14956S-01Nemonoxacin-d3
RM-N213026-01Nemonoxacin Impurity 26
RM-N213025-01Nemonoxacin Impurity 25
RM-N213018-01Nemonoxacin Impurity 18
RM-N213015-01Nemonoxacin Impurity 15

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