AG000IV4

119478-55-6 | 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-, methanesulfonate (1:1)

AG000IV4

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CAS Number	119478-55-6
Catalog Number	AG000IV4(AGN-PC-0PDDNR)
Chemical Name	3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-, methanesulfonate (1:1)
IUPAC Name	1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid
InChI	InChI=1S/C19H20FN3O3.CH4O3S/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10;1-5(2,3)4/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26);1H3,(H,2,3,4)/t11-,12-;/m0./s1
InChI Key	APFDJSVKQNSTKF-FXMYHANSSA-N
MDL Number	MFCD00673687
Molecular Formula	C20H24FN3O6S
Molecular Weight	453.4845
SMILES	O=C(C1=CN(C2CC2)C3=C(C=C(F)C(N4[C@](C5)([H])CN(C)[C@]5([H])C4)=C3)C1=O)O.CS(=O)(O)=O
UNII	94F3SX3LEM
Synonyms	Advocid, Advocin, danofloxacin, danofloxacin mesylate, Danofloxacin mesylate, 119478-55-6, Advocin, Danofloxacin (mesylate), UNII-94F3SX3LEM, DANOFLOXACIN MESILATE, CP-76136-27, 94F3SX3LEM, Danofloxacin mesylate [USAN], Danofloxacin mesylate (USAN), 1-cyclopropyl-6-fluoro-7-[(1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid monomethanesulfonate, Advocid (TN), danofloxacin-mesylate, cp 76136-27, AC1L2FYQ, CP 76,136-27, AC1Q6WD0, Danofloxacin Methanesulfonate, SCHEMBL418388, Danofloxacin monomethanesulfonate, CHEMBL2106153, C19H20FN3O3.CH3SO3H, 1-cyclopropyl-6-fluoro-7-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid compound with methanesulfonic acid (1:1), 1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid, HY-B0501, s3058, AKOS015895387, API0002211, CS-2695, 1-Cyclopropyl-6-fluoro-1,4-dihydro-7-((1S,4S)-5-methyl-2,5-diazabicyclo(2.2.1)hept-2-yl)-4-oxo-3-quinolinecarboxylic acid, monomethanesulfonate, O716, SC-76814, AB0016611, TR-031686, CP-76,136-27, D-0245, D03646, 478D556, C-22524, Danofloxacin mesylate, Antibiotic for Culture Media Use Only, 1-Cyclopropyl-6-fluoro-1,4-dihydro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-3-Quinolinecarboxylic Acid Mesylate, 1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid; methanesulfonic acid, 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(5-methyl-2,5-diazabicyclo(2.2.1)hept-2-yl)-4-oxo-, (1S)-, monomethanesulfonate, 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-, methanesulfonate (1:1), Danofloxancin mesylate, DANOFLOXACINMESYLATE, C19H20FN3O3.CH4O3S, CID71334, AR-1I2735, Danofloxacin mesylate, 98% - 1G 1g, C19-H20-F-N3-O3.C-H4-O3-S, 1203-25-4,

Complexity	772
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	453.137g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	453.485g/mol
Monoisotopic Mass	453.137g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	127A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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