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A-867191 (hydrochloride)

CAT: 0804-HY-19951ASize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-19951ASize:1 Each
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Description
A-867191 (hydrochloride) is a 2-pyridone DNA gyrase inhibitor. A-867191 (hydrochloride) has antibacterial activity. A-867191 (hydrochloride) can be used for research on infections[1].
CAS Number
162763-53-3
UNSPSC
12352005
Target
Bacterial
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
O=C(C1=CC(C2CC2)=C3C(C)=C(N4C[C@@H](N)CC4)C(F)=CN3C1=O)O.[H]Cl
Molecular Formula
C18H21ClFN3O3
Molecular Weight
381.83
References & Citations
[1]Jacoby GA, et al. Protective effect of Qnr on agents other than quinolones that target DNA gyrase. Antimicrob Agents Chemother. 2015 Nov;59 (11) :6689-95.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

A-816719.1
CAS Number162763-53-3
PubChem CID178073
IUPAC Name8-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride
Molecular FormulaC18H21ClFN3O3
Molecular Weight381.8
Topological Polar Surface Area86.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity804
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC[C@@H](C4)N.Cl
InChI
InChI=1S/C18H20FN3O3.ClH/c1-9-15-12(10-2-3-10)6-13(18(24)25)17(23)22(15)8-14(19)16(9)21-5-4-11(20)7-21;/h6,8,10-11H,2-5,7,20H2,1H3,(H,24,25);1H/t11-;/m0./s1
InChIKey
OMXXLAGAHWXLSP-MERQFXBCSA-N
Chemical Structure
2D Structure
2D structure of A-816719.1
CAS: 162763-53-3
CID: 178073
Formula: C18H21ClFN3O3
MW: 381.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass381.1255474
Monoisotopic Mass381.1255474
Topological Polar Surface Area86.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity804
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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