1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(octahydro-1-methyl-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid
Basic information
- CAS
1179992-99-4- Standard SMILES
COc1c(N2CC3CCCN(C)C3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12- InChIKey
RBOQKHOVSOJSBL-UHFFFAOYSA-N- Molecular formula
- C22H26FN3O4
- Average molar mass
- 415.5 g/mol
- Monoisotopic mass
- 415.19073448
Names & identifiers
- Preferred name
- 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(octahydro-1-methyl-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid
- IUPAC
- 1-cyclopropyl-6-fluoro-8-methoxy-7-(1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxoquinoline-3-carboxylic acid
- English name
- Moxifloxacin Related Compound F (25 mg) (1-Cyclopropyl-6-fluoro-8-methoxy-7-(1-methyloctahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid)
- Molecular formula
- C22H26FN3O4
- Molecular weight
- 415.46
Names & synonyms
1179992-99-41-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(octahydro-1-methyl-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(octahydro-1-methyl-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acidRefChem:431956111-138-7N-Methyl Moxifloxacin1-cyclopropyl-6-fluoro-8-methoxy-7-(1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxoquinoline-3-carboxylic acid1-cyclopropyl-6-fluoro-8-methoxy-7-(1-methylhexahydro-1H-pyrrolo[3,4-b]pyridin-6(2H)-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-Cyclopropyl-6-fluoro-8-methoxy-7-(1-methyloctahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acidSCHEMBL680655Moxifloxacin EP Impurity F (N-Methyl Moxifloxacin)orb3213447
Show more names
Moxifloxacin Impurity 90MOXIFLOXACIN RELATED COMPOUND F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 757
Physicochemical properties
- Boiling point
- 616.5 · 616.5±55.0 °C(Predicted)
- Density
- 1.384 · 1.384±0.06 g/cm3(Predicted)
- pka
- 6.43 · 6.43±0.50(Predicted)
- Major Application
- pharmaceutical (small molecule)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H411
- Precautionary statements
- 264 · P264-P273-P280-P301+P312-P305+P351+P338-P337+P313
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933497050 · 2933497050
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933497050
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319-H411
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2
- Precautionary statements
- P264-P273-P280-P301+P312-P305+P351+P338-P337+P313
Chemistry & industry
Applications
UsesMoxifloxacin Related Compound F USP reference standard, intended for use in specified quality tests and assays as specified in the USP compendia.Also, for use with USP monograph such as Moxifloxacin Tablets
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Compound notes
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