- Moxifloxacin
- Moxifloxacin hydrochloride
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Cas Database |
| Name |
Moxifloxacin |
EINECS | 604-773-0 |
| CAS No. | 151096-09-2 | Density | 1.409 g/cm3 |
| PSA | 83.80000 | LogP | 2.76430 |
| Solubility | N/A | Melting Point |
203-208 ºC |
| Formula | C21H24FN3O4 | Boiling Point | 636.4 ºC at 760 mmHg |
| Molecular Weight | 401.438 | Flash Point | 338.7 ºC |
| Transport Information | N/A | Appearance | Almost white crystalling power |
| Safety | 36/37 | Risk Codes | 22-40 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
3-Quinolinecarboxylicacid,1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-,(4aS-cis)-;Izilox;Moxifloxacine;Vigamox;Moxifloxacin; |
Article Data | 14 |
Moxifloxacin Synthetic route
- 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
- 151096-09-2
moxifloxacin
| Conditions | Yield |
|---|---|
| With [BCl2(4-picoline)][AlCl4]; triethylamine In methanol at 85℃; for 6h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; | 96% |
| In dimethyl sulfoxide at 65 - 70℃; for 6 - 8h; | 89.7% |
| With triethylamine In N,N-dimethyl-formamide; acetonitrile at 0 - 78℃; for 11h; Reflux; | 66% |
- 151096-09-2
moxifloxacin
| Conditions | Yield |
|---|---|
| Stage #1: (4aS-cis)-1-cyclopropyl-7-(2,8 diazabicyclo[4.3.0]non-8-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinoline carboxylic aid-O3,O4-bis(propyloxy-O)borate. With hydrogenchloride In methanol; water at 10 - 15℃; for 2h; pH=1.0 - 2.0; Stage #2: With ammonia In water at 25 - 75℃; for 1.25h; pH=7.5 - 8; Product distribution / selectivity; | 90% |
| Stage #1: (4aS-cis)-1-cyclopropyl-7-(2,8 diazabicyclo[4.3.0]non-8-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinoline carboxylic aid-O3,O4-bis(propyloxy-O)borate. With hydrogenchloride In methanol at 10 - 15℃; for 2h; pH=1 - 2; Stage #2: With ammonia In water at 25 - 75℃; pH=7.5 - 8; Product distribution / selectivity; | 90% |
- 112811-72-0
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
- 151096-09-2
moxifloxacin
- 151096-09-2
moxifloxacin
| Conditions | Yield |
|---|---|
| Stage #1: (1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-(oxo-κO3)-3-quinolinecarboxylato-κO3)difluoroboron With methanol at 63 - 67℃; for 5 - 6h; Stage #2: With hydrogenchloride; sodium hydroxide; water at 50 - 60℃; for 2h; pH=8.0 - 12.0; Product distribution / selectivity; |
- 496919-99-4
1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinoline carboxylic acid-O3,O4-bis(propyloxy-O)borate
- 151213-40-0
(1S,6S)-2,8-diazabicyclo[4.3.0]nonane
- 151096-09-2
moxifloxacin
| Conditions | Yield |
|---|---|
| Stage #1: 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinoline-carboxylic acid O3,O4-bis(propyloxy-O)borate; (1S,6S)-2,8-diazabicyclo[4.3.0]nonane With triethylamine In acetonitrile at 10 - 15℃; for 2h; Heating / reflux; Stage #2: With hydrogenchloride; water In methanol; acetonitrile at 10 - 15℃; for 2h; pH=1 - 2; Stage #3: With ammonia In water at 70 - 75℃; pH=7.5 - 9.0; Product distribution / selectivity; |
- 186826-86-8
moxifloxacin hydrochloride
- 151096-09-2
moxifloxacin
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water; acetone at 25 - 60℃; for 0.666667h; Product distribution / selectivity; | |
| With sodium hydroxide In cyclohexane; water; acetone at 25 - 60℃; for 13.1667 - 15.1667h; Product distribution / selectivity; Heating / reflux; |
- 1028205-69-7
C25H33FN4O3
- 151096-09-2
moxifloxacin
| Conditions | Yield |
|---|---|
| Stage #1: C25H33FN4O3 With sodium hydroxide; water In ethylene glycol at 115℃; for 15h; Stage #2: With hydrogenchloride In water; ethylene glycol at 5℃; for 0.5h; pH=5.5; Product distribution / selectivity; |
- 1028205-70-0
C32H37FN4O5
- 151096-09-2
moxifloxacin
| Conditions | Yield |
|---|---|
| Stage #1: C32H37FN4O5 With sodium hydroxide; water In ethylene glycol at 115℃; for 15h; Stage #2: With hydrogenchloride In water; ethylene glycol at 5℃; for 0.5h; pH=5.5; Product distribution / selectivity; |
- 1028205-71-1
C30H41FN4O5
- 151096-09-2
moxifloxacin
| Conditions | Yield |
|---|---|
| Stage #1: C30H41FN4O5 With sodium hydroxide; water In ethylene glycol at 115℃; for 15h; Stage #2: With hydrogenchloride In water; ethylene glycol at 5℃; for 0.5h; pH=5.5; Product distribution / selectivity; |
- 1028205-72-2
C21H25FN4O3
- 151096-09-2
moxifloxacin
| Conditions | Yield |
|---|---|
| Stage #1: C21H25FN4O3 With sodium hydroxide; water In ethylene glycol at 115℃; for 15h; Stage #2: With hydrogenchloride In water; ethylene glycol at 5℃; for 0.5h; pH=5.5; Product distribution / selectivity; |
Moxifloxacin Specification
The Moxifloxacin, with the CAS registry number 151096-09-2,is also known as (1'S,6'S)-1-Cyclopropyl-7-(2,8-diazabicyclo[4.3.0]non-8-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. It belongs to the product categories of Organic matters. This chemical's molecular formula is C21H24FN3O4 and molecular weight is 401.44.What's more,Its systematic name is 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-. It is harmful if swallowed .But there is limited evidence of a carcinogenic effect.When you use it,wear suitable protective clothing and gloves. Moxifloxacin is a broad-spectrum antibiotic that is active against both Gram-positive and Gram-negative bacteria. It functions by inhibiting DNA gyrase, a type II topoisomerase, and topoisomerase IV, enzymes necessary to separate bacterial DNA, thereby inhibiting cell replication.
Physical properties about Metham sodium are:
(1)ACD/LogP: 2.825; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.12; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 2.51; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.633; (13)Molar Refractivity: 101.823 cm3; (14)Molar Volume: 284.995 cm3; (15)Surface Tension: 60.5719985961914 dyne/cm; (16)Density: 1.409 g/cm3; (17)Flash Point: 338.672 °C; (18)Enthalpy of Vaporization: 98.821 kJ/mol; (19)Boiling Point: 636.382 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:COc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)c(=O)c(cn2C5CC5)C(=O)O;
(2)Std. InChI:InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1;
(3)Std. InChIKey:FABPRXSRWADJSP-MEDUHNTESA-N.
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