9-Piperazino ofloxacin
Basic information
- CAS
197291-75-1- Standard SMILES
CC1COc2c(F)c(N3CCN(C)CC3)cc3c(=O)c(C(=O)O)cn1c23- InChIKey
FHAKLRRIGREDDW-UHFFFAOYSA-N- Molecular formula
- C18H20FN3O4
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.14378429
Names & identifiers
- Preferred name
- 9-Piperazino ofloxacin
- IUPAC
- 6-fluoro-2-methyl-7-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
- English name
- 9-Piperazino Ofloxacin
- Molecular formula
- C18H20FN3O4
- Molecular weight
- 361.37
Names & synonyms
9-Piperazino Ofloxacin197291-75-1UNII-8L87OH5G1Z8L87OH5G1ZOfloxacin specified impurity D [EP](3RS)-10-Fluoro-3-methyl-9-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 10-fluoro-2,3-dihydro-3-methyl-9-(4-methyl-1-piperazinyl)-7-oxo-OFLOXACIN IMPURITY D [EP IMPURITY]OFLOXACIN IMPURITY D (EP IMPURITY)RefChem:199285Ofloxacin specified impurity D10-FLUORO-9-(4-METHYLPIPERAZIN-1-YL)-OFLOXACIN, (+-)-
Show more names
Levofloxacin Impurity GLevofloxacin-7Ofloxacin Impurity D（EP）Ofloxacin EP Impurity D (Base)Ofloxacin EP Impurity-D (Isomer)Ofloxacin Impurity 1(Ofloxacin EP Impurity D)
Ofloxacin EP Impurity D10-fluoro-3-methyl-9-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid6-fluoro-2-methyl-7-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid10-Fluoro-9-(4-methylpiperazin-1-yl)-ofloxacin, (+/-)-9-Desfluoro-9-(4-Methyl-piperazino)-10-Des(4-methylpiperazino)-10-Fluoro Ofloxacin10-fluoro-3-methyl-9-(4-methylpiperazin-1-yl)-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acidOfloxacin impurity D CRSOfloxacin impurity D
Database identifiers
- CAS
197291-75-1- PubChem CID
- 71751685
- DTXSID
DTXSID901365971- UNII
- 8L87OH5G1Z
- Nikkaji
- J3.496.488B
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 634
Physicochemical properties
- Boiling point
- 588.1 · 588.1±50.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 5.28 · 5.28±0.40(Predicted)
- InChI
- 1S/C18H20FN3O4/c1-10-9-26-17-14(19)13(21-5-3-20(2)4-6-21)7-11-15(17)22(10)8-12(16(11)23)18(24)25/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
- InChIKey
- FHAKLRRIGREDDW-UHFFFAOYSA-N
- SMILES
- Fc1c2c3[n](cc([c](c3cc1N4CCN(CC4)C)=O)C(=O)O)C(CO2)C
- FDA UNII
- 8 L87OH5G1Z · 8L87OH5G1Z
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesA degradation product
Uses9-Piperazino Ofloxacin (Ofloxacin EP Impurity D) is a synthetic impurity product from Ofloxacin (O245750). Ofloxacin impurity D. A regioisomer of Ofloxacin.
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Compound notes
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