Enrofloxacin impurity E

CAT: 0926-IE167758-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0926-IE167758-02Size:2 mg

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CAS Number

1369495-59-9

Smiles

CCN1CCN (CC1) C2=C (C=C3C (=C2) N (C=C (C3=O) C (=O) O) C4CC4) Cl

Molecular Formula

C19H22ClN3O3

Molecular Weight

375.85 g/mol

Controlled

Chemical Information

6-Chloro-1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

CAS Number	1369495-59-9
PubChem CID	71587992
IUPAC Name	6-chloro-1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Molecular Formula	C19H22ClN3O3
Molecular Weight	375.8
XLogP	0.3
Topological Polar Surface Area	64.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	613

SMILES

CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)Cl

InChI

InChI=1S/C19H22ClN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)

InChIKey

HCXWTMPZFKUGNH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1369495-59-9

CID: 71587992

Formula: C19H22ClN3O3

MW: 375.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	375.8
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	375.1349693
Monoisotopic Mass	375.1349693
Topological Polar Surface Area	64.1 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	613
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AE22674-01	Enrofloxacin
FE103743-01	Enrofloxacin HCl
80-1445	Enrofloxacin-OVA
80-1444	Enrofloxacin-BSA
ZFA09197-01	M1-Enrofloxacin hydrochloride
IR168440-01	Roflumilast Impurity E
GIC88980	Dabigatran impurity E
FD63745-01	Desogestrel impurity E
FC63655-01	Cefazolin impurity E
IA63602-01	Allopurinol impurity E