Sparfloxacin

CAT: 0572-TRC-S679250-500MGSize: 500 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-S679250-500MGSize:500 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

110871-86-8

Synonyms

Sparfloxacin; 5-Amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid; 3-Quinolinecarboxylic acid, 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6,8-difluoro-1,4-dihydro-4-oxo-, rel-; 3-Quinolinecarboxylic acid, 5-amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-, cis-; rel-5-Amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; AT 4140; CI 978; CP 103826; PD 1315-1; PD 131501; Parox; Salocin 120; Spara; Sparcin; Zagam

Hazard Statement

Causes skin irritation

Purity

>95% (HPLC)

Smiles

C[C@@H]1CN(C[C@H](C)N1)c2c(F)c(N)c3C(=O)C(=CN(C4CC4)c3c2F)C(=O)O

Molecular Formula

C19 H22 F2 N4 O3

Molecular Weight

392.4

InChI

InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+

Additionnal Information

IUPAC name: 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Sparfloxacin

Sparfloxacin is a quinolone, a quinolinemonocarboxylic acid, a N-arylpiperazine, a quinolone antibiotic and a fluoroquinolone antibiotic.

CAS Number	110871-86-8
PubChem CID	60464
IUPAC Name	5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
Molecular Formula	C19H22F2N4O3
Molecular Weight	392.4
XLogP	0.1
Topological Polar Surface Area	98.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	28
Formal Charge	0
Complexity	691

SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=C(C(=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)N)F

InChI

InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+

InChIKey

DZZWHBIBMUVIIW-DTORHVGOSA-N

Chemical Structure

2D Structure

CAS: 110871-86-8

CID: 60464

Formula: C19H22F2N4O3

MW: 392.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	392.4
XLogP3	0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	392.16599690
Monoisotopic Mass	392.16599690
Topological Polar Surface Area	98.9 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	691
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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B2030-5000	Sparfloxacin

Sparfloxacin

Chemical Information

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