Products for Research Use Only
RegisterLogin

Desfluoro 5-Hydroxy Orbifloxacin

CAT: 0572-TRC-D290077-100MGSize: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-D290077-100MGSize:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
126458-22-8
Synonyms
Desfluoro 5-Hydroxy Orbifloxacin; 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-5-hydroxy-4-oxo-, cis- (9CI); 1-Cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-5-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 5-Des
Hazard Statement
No Data Available
Smiles
C[C@@H]1CN(C[C@H](C)N1)c2c(F)c(O)c3C(=O)C(=CN(C4CC4)c3c2F)C(=O)O
Molecular Formula
C19 H21 F2 N3 O4
Molecular Weight
393.385
InChI
InChI=1S/C19H21F2N3O4/c1-8-5-23(6-9(2)22-8)16-13(20)15-12(18(26)14(16)21)17(25)11(19(27)28)7-24(15)10-3-4-10/h7-10,22,26H,3-6H2,1-2H3,(H,27,28)/t8-,9+
Additionnal Information
IUPAC name: 1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid
Shipping Conditions
Room Temperature

Chemical Information

Desfluoro 5-hydroxy orbifloxacin
CAS Number126458-22-8
PubChem CID10000645
IUPAC Name1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC19H21F2N3O4
Molecular Weight393.4
XLogP0.4
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity691
SMILES
C[C@@H]1CN(C[C@@H](N1)C)C2=C(C3=C(C(=C2F)O)C(=O)C(=CN3C4CC4)C(=O)O)F
InChI
InChI=1S/C19H21F2N3O4/c1-8-5-23(6-9(2)22-8)16-13(20)15-12(18(26)14(16)21)17(25)11(19(27)28)7-24(15)10-3-4-10/h7-10,22,26H,3-6H2,1-2H3,(H,27,28)/t8-,9+
InChIKey
ORZZEIYHQYCPRF-DTORHVGOSA-N
Chemical Structure
2D Structure
2D structure of Desfluoro 5-hydroxy orbifloxacin
CAS: 126458-22-8
CID: 10000645
Formula: C19H21F2N3O4
MW: 393.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.4
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass393.15001248
Monoisotopic Mass393.15001248
Topological Polar Surface Area93.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity691
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

Related Products

CatalogName
TRC-D290076-25MGDesfluoro 5(2,6-Dimethylpiperizine) Orbifloxacin
TRC-D291110-1GDesfluoro Hydroxy Fallypride
TRC-O674200-50MGOrbifloxacin
TRC-O674200-100MGOrbifloxacin
TRC-O674200-2.5GOrbifloxacin
TRC-D289970-2MG6-Desfluoro-6-hydroxy Risperidone
TRC-D290830-75MG7-Desfluoro 7-Hydroxy Iloperidone
TRC-D290078-100MG4-Desfluoro-4-hydroxy Flufenpyr
TRC-D289970-0.5MG6-Desfluoro-6-hydroxy Risperidone
TRC-D289970-1MG6-Desfluoro-6-hydroxy Risperidone

Alternative Products

CatalogName
BFA45822-01Desfluoro 5-hydroxy orbifloxacin
446291-01Desfluoro Hydroxy Fallypride
0084196-Desfluoro-6-hydroxy Risperidone
439634-017-Desfluoro 7-Hydroxy Iloperidone
4363405-Desfluoro Sitagliptin
sc-391835Rac 5-Desfluoro Voriconazole
439633-017-Desfluoro 5-Fluoro Iloperidone
436341-015-Desfluoro-destrifluoromethyl Sitagliptin Hydrochloride Salt
AR-S01639-015-Desfluoro Sitagliptin N-Boc Acid Impurity
B1802-50Orbifloxacin

Popular Products