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186826-86-8

Basic Information
CAS No.: 186826-86-8
Name: Moxifloxacin hydrochloride
Article Data: 34
Cas Database
Molecular Structure:
Molecular Structure of 186826-86-8 (Moxifloxacin hydrochloride)
Formula: C21H24FN3O4.ClH
Molecular Weight: 437.899
Synonyms: Moxifloxacin HCl;3-Quinolinecarboxylicacid,1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-,hydrochloride (1:1);3-Quinolinecarboxylic acid,1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-,monohydrochloride (9CI);Actira;Avalox;Avelox;BAY 12-8039;Lapinix;Octegra;
EINECS: 641-756-7
Density: N/A
Melting Point: Slightly yellow to yellow crystalline powder, mp 324-325°
Boiling Point: 636.4 °C at 760 mmHg
Flash Point: 338.7 °C
Solubility: Sparingly soluble in water. Soluble in DMSO
Appearance: 99%
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 83.80000
LogP: 3.56630
Synthetic route

(4aS-cis)-1-cyclopropyl-7-(2,8-diazabicyclo-[4.3.0]non-8-yl)-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinoline carboxylic acid-O3,O4(bis(acyloxy-O)) borate

186826-86-8

moxifloxacin hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In methanol; water at 0 - 8℃; for 0.333333h; Temperature;96.2%
With hydrogenchloride In methanol at -5 - 20℃; for 2h; pH=1; Temperature;93.1%
With sodium hydroxide In acetone for 1h; Large scale;89.8%

C27H33BFN3O8

186826-86-8

moxifloxacin hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In methanol at 20℃; for 2h; pH=3; pH-value;92.9%

moxifloxacin ethyl ester tartrate

186826-86-8

moxifloxacin hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In water at 60℃; for 6h; Solvent;92.1%
112811-72-0

1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

151213-40-0

(1S,6S)-2,8-diazabicyclo[4.3.0]nonane

186826-86-8

moxifloxacin hydrochloride

Conditions
ConditionsYield
Stage #1: 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid; (1S,6S)-2,8-diazabicyclo[4.3.0]nonane With titanium(IV) isopropylate; triethylamine In isopropyl alcohol at 100℃; Inert atmosphere;
Stage #2: With hydrogenchloride In methanol at 20℃; for 1h; pH=1; Solvent; Reagent/catalyst;
90%
Multi-step reaction with 2 steps
1: Alkaline conditions
2: hydrogenchloride
View Scheme
Stage #1: 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid; (1S,6S)-2,8-diazabicyclo[4.3.0]nonane With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 20 - 85℃; for 36h; Inert atmosphere;
Stage #2: With hydrogenchloride In water at 15℃; for 1h; pH=1.4 - 1.8; Inert atmosphere;
3.3 g
112811-71-9

ethyl 8-methoxy-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate

151213-40-0

(1S,6S)-2,8-diazabicyclo[4.3.0]nonane

186826-86-8

moxifloxacin hydrochloride

Conditions
ConditionsYield
Stage #1: ethyl 8-methoxy-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate With boric acid; acetic anhydride at 90 - 100℃; for 3h;
Stage #2: With triethylamine In acetonitrile at 20℃; for 0.5h;
Stage #3: (1S,6S)-2,8-diazabicyclo[4.3.0]nonane Temperature; Solvent; Reagent/catalyst; Further stages;
89.78%
139678-43-6

1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinoline carboxylic acid (O3,O4)bis(acyloxy-O)borate

151213-40-0

(1S,6S)-2,8-diazabicyclo[4.3.0]nonane

186826-86-8

moxifloxacin hydrochloride

Conditions
ConditionsYield
Stage #1: 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinoline carboxylic acid (O3,O4)bis(acyloxy-O)borate; (1S,6S)-2,8-diazabicyclo[4.3.0]nonane With triethylamine In acetonitrile at 15℃;
Stage #2: With hydrogenchloride In water pH=0.5; Temperature;
89.1%

magnesium hydroxide

1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinic acid

1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinic acid

octahydro-1H-pyrrole[3,4-b]pyridine

octahydro-1H-pyrrole[3,4-b]pyridine

A

Moxifloxacin HCl (I-HCl)-Exemplifying

Moxifloxacin HCl (I-HCl)-Exemplifying

B

186826-86-8

moxifloxacin hydrochloride

Conditions
ConditionsYield
With tetrabutyl-ammonium chloride In N-methyl-acetamide; hydrogenchloride; ethanol; waterA n/a
B 89%
1082245-30-4

L(+)-moxifloxacin tartrate

186826-86-8

moxifloxacin hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In ethanol; water at 25 - 30℃; for 1h;88.3%

C26H30BFN2O8

186826-86-8

moxifloxacin hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In water at 10℃; for 1h; Temperature;81%
151096-09-2

moxifloxacin

186826-86-8

moxifloxacin hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In methanol at 0 - 5℃; for 1h; pH=1.0 - 2.0; Product distribution / selectivity;77%
With hydrogenchloride; edetate disodium In methanol; water at 0 - 38℃; for 2h;54.84%
With hydrogenchloride In ethanol at 0 - 10℃; for 2h; Product distribution / selectivity;
Downstream Products
151096-09-2
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Chemistry

Molecular Structure of Moxifloxacin hydrochloride (CAS NO.186826-86-8):

Molecular Formula: C21H25ClFN3O4
Molecular Weight: 437.8923
IUPAC Name: 7-(1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid hydrochloride
Synonyms of Moxifloxacin hydrochloride (CAS NO.186826-86-8): Moxifloxacin hydrochloride [USAN] ; (4aS-cis)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(octahydro-6H-pyrrolol(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid, monohydrochloride ; 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid, monohydrochloride ; Avelox ; Avelox in sodium chloride 0.8% in plastic container ; BAY 12-8039 ; Moxifloxacin HCl ; UNII-C53598599T ; Vigamox ; 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-, monohydrochloride
CAS NO: 186826-86-8
Classification Code: Antibacterial 
Flash Point: 338.7 °C
Enthalpy of Vaporization: 98.82 kJ/mol
Boiling Point: 636.4 °C at 760 mmHg
Vapour Pressure of Moxifloxacin hydrochloride (CAS NO.186826-86-8): 4.56E-17 mmHg at 25°C

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