Merafloxacin 1mg

CAT: 0628-A22483-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A22483-1Size:1 mg

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CAS Number

91188-00-0

Chemical Information

1-Ethyl-7-(3-((ethylamino)methyl)-1-pyrrolidinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

CAS Number	91188-00-0
PubChem CID	121833
IUPAC Name	1-ethyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
Molecular Formula	C19H23F2N3O3
Molecular Weight	379.4
XLogP	-0.1
Topological Polar Surface Area	72.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	615

SMILES

CCNCC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CC)F

InChI

InChI=1S/C19H23F2N3O3/c1-3-22-8-11-5-6-24(9-11)17-14(20)7-12-16(15(17)21)23(4-2)10-13(18(12)25)19(26)27/h7,10-11,22H,3-6,8-9H2,1-2H3,(H,26,27)

InChIKey

BAYYCLWCHFVRLV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 91188-00-0

CID: 121833

Formula: C19H23F2N3O3

MW: 379.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	379.4
XLogP3	-0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	379.17074793
Monoisotopic Mass	379.17074793
Topological Polar Surface Area	72.9 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	615
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BA2263-50	Merafloxacin