(S)-9,10-Difluro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid
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Product Description
Product
(S)-9,10-Difluro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid
CAS
100986-89-8
Formula
C13H9F2NO4
Synonym
Levofloxacin q-acid; Levofloxacin carboxylic acid; (-)-9,10-DIFLUORO-3(S)-METHYL-7-OXO-2,3-DIHYDRO-7H- PYRIDO (1,2,3-DE)-1,4-BENZOXAZINE-6-CARBOXYLIC ACID; (-)-9,10-DIFLUORO-3(S)-METHYL-7-OXO-2,3-DIHYDRO-7H-PYRIDO (1,2,3-DE)-1,4-BENZOXAZINE-6-CARBOXYLIC ACID; (S)-(-)-9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazine-6-carboxylic acid; 7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-; 8,9-difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid; 9,10-Difluoro-3(S)-methyl-7-oxo-2,3-dihyd; Levofloxacin q-acid, (-)-; Levofloxacin related compound B; Levofloxacin related compound B [USP]; Levofloxacin related compound B RS [USP]; LEVOFLUOROCARBOXYLIC ACID; S(-)-9,10-DIFL-2,3-DIHYDRO-3-ME-7H-PYRI&; S-(-)-9,10-DIFLUORO-2,3-DIHYDRO-3-METHYL-7-OXO-7H-PYRIDO-[1,2,3-DE] [1,4]-BENZOXAZINE-6-CARBOXYLIC ACID; S-(-)-9,10-DIFLUORO-2,3-DIHYDRO-3-METHYL-7-OXO-7H-PYRIDO-[1,2,3-DE][1,4]-BENZOXAZINE-6-CARBOXYLIC ACID; UNII-08GT8FY84E
Typical Product Specifications
Molecular weight
281.21
SMILES
C[C@H]1COc2c3n1cc(c(=O)c3cc(c2F)F)C(=O)O
InChI
NVKWWNNJFKZNJO-YFKPBYRVSA-N
InChIKey
1S/C13H9F2NO4/c1-5-4-20-12-9(15)8(14)2-6-10(12)16(5)3-7(11(6)17)13(18)19/h2-3,5H,4H2,1H3,(H,18,19)/t5-/m0/s1
Melting Point
>300 °C
Storage Temperature
Refrigerator
Molecular weight
250.25
EINECS
202-966-0
SMILES
c1cc(ccc1Cc2ccc(cc2)N=C=O)N=C=O
InChI
1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2
InChIKey
UPMLOUAZCHDJJD-UHFFFAOYSA-N
Flash Point
196 °C
Boiling Point
392 °C
Density
1.19
Melting Point
38-44 °C
BRN Number
797662
Water solubility
decomposes
Stability
Stable. Combustible. Incompatible with strong oxidizing agents. Reacts violently with alcohols.
Sensitive
Moisture Sensitive/Lachrymatory
Freezing Point
37?
Storage Temperature
Refrigerator
Freezing Point
37?
Vapor Pressure
5.00E-06 mm Hg
Henry's Law Constant
8.95E-07 atm-m3/mole
Melting Point
38 ° C
log P (octanol-water)
5.220
Water solubility
0.829 mg/L
Atmospheric OH Rate Constant
1.20E-11 cm3/molecule-sec
Freezing Point
37?
Class
Industry
(S)-9,10-Difluro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid
Product Description
Product
(S)-9,10-Difluro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid
CAS
100986-89-8
Formula
C13H9F2NO4
Synonym
Levofloxacin q-acid; Levofloxacin carboxylic acid; (-)-9,10-DIFLUORO-3(S)-METHYL-7-OXO-2,3-DIHYDRO-7H- PYRIDO (1,2,3-DE)-1,4-BENZOXAZINE-6-CARBOXYLIC ACID; (-)-9,10-DIFLUORO-3(S)-METHYL-7-OXO-2,3-DIHYDRO-7H-PYRIDO (1,2,3-DE)-1,4-BENZOXAZINE-6-CARBOXYLIC ACID; (S)-(-)-9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazine-6-carboxylic acid; 7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-; 8,9-difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid; 9,10-Difluoro-3(S)-methyl-7-oxo-2,3-dihyd; Levofloxacin q-acid, (-)-; Levofloxacin related compound B; Levofloxacin related compound B [USP]; Levofloxacin related compound B RS [USP]; LEVOFLUOROCARBOXYLIC ACID; S(-)-9,10-DIFL-2,3-DIHYDRO-3-ME-7H-PYRI&; S-(-)-9,10-DIFLUORO-2,3-DIHYDRO-3-METHYL-7-OXO-7H-PYRIDO-[1,2,3-DE] [1,4]-BENZOXAZINE-6-CARBOXYLIC ACID; S-(-)-9,10-DIFLUORO-2,3-DIHYDRO-3-METHYL-7-OXO-7H-PYRIDO-[1,2,3-DE][1,4]-BENZOXAZINE-6-CARBOXYLIC ACID; UNII-08GT8FY84E
Typical Product Specifications
Molecular weight
281.21
SMILES
C[C@H]1COc2c3n1cc(c(=O)c3cc(c2F)F)C(=O)O
InChI
NVKWWNNJFKZNJO-YFKPBYRVSA-N
InChIKey
1S/C13H9F2NO4/c1-5-4-20-12-9(15)8(14)2-6-10(12)16(5)3-7(11(6)17)13(18)19/h2-3,5H,4H2,1H3,(H,18,19)/t5-/m0/s1
Melting Point
>300 °C
Storage Temperature
Refrigerator
Molecular weight
250.25
EINECS
202-966-0
SMILES
c1cc(ccc1Cc2ccc(cc2)N=C=O)N=C=O
InChI
1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2
InChIKey
UPMLOUAZCHDJJD-UHFFFAOYSA-N
Flash Point
196 °C
Boiling Point
392 °C
Density
1.19
Melting Point
38-44 °C
BRN Number
797662
Water solubility
decomposes
Stability
Stable. Combustible. Incompatible with strong oxidizing agents. Reacts violently with alcohols.
Sensitive
Moisture Sensitive/Lachrymatory
Freezing Point
37?
Storage Temperature
Refrigerator
Freezing Point
37?
Vapor Pressure
5.00E-06 mm Hg
Henry's Law Constant
8.95E-07 atm-m3/mole
Melting Point
38 ° C
log P (octanol-water)
5.220
Water solubility
0.829 mg/L
Atmospheric OH Rate Constant
1.20E-11 cm3/molecule-sec
Freezing Point
37?
Class
Industry
