AG0082O0

112398-08-0 | 1-cyclopropyl-6-fluoro-7-[(1S,4S)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxoquinoline-3-carboxylic acid

AG0082O0

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CAS Number	112398-08-0
Catalog Number	AG0082O0(AGN-PC-0P3E3Q)
Chemical Name	1-cyclopropyl-6-fluoro-7-[(1S,4S)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxoquinoline-3-carboxylic acid
EC Number	918-378-9
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
InChI	InChI=1S/C19H20FN3O3/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/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)/t11-,12-/m0/s1
InChI Key	QMLVECGLEOSESV-RYUDHWBXSA-N
MDL Number	MFCD00864910
Molecular Formula	C19H20FN3O3
Molecular Weight	357.3788
SMILES	C1(CC1)N1C=C(C(C2=CC(=C(C=C12)N1C[C@H]2N(C[C@@H]1C2)C)F)=O)C(=O)O
UNII	24CU1YS91D
Synonyms	Advocid, Advocin, danofloxacin, danofloxacin mesylate, Danofloxacin, 112398-08-0, Danofloxacine, Danofloxacino, Danofloxacinum, UNII-24CU1YS91D, 24CU1YS91D, C19H20FN3O3, MFCD00864910, NCGC00164548-01, DSSTox_CID_26432, DSSTox_RID_81609, DSSTox_GSID_46432, CAS-112398-08-0, Danofloxacin [INN:BAN], Danofloxacine [INN-French], Danofloxacinum [INN-Latin], Danofloxacino [INN-Spanish], Advocin&reg;, Advocin (TN), Danofloxacin (INN), AC1L2FYT, AC1Q5RE0, 5-methyl-2,5-diazabicyclo, (1s)-1-cyclopropyl-6-fluoro-1,4-dihydro-7-(5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl)-4-oxo-3-quinolinecarboxylic acid, MLS004774070, SCHEMBL149627, CHEMBL157548, DTXSID0046432, QMLVECGLEOSESV-RYUDHWBXSA-N, ZINC607798, 1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid, Tox21_112177, A180 (TN), Tox21_112177_1, API0002210, NCGC00164548-02, 1-cyclopropyl-6-fluoro-7-((1S,4S)-, 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)-, AJ-23689, CC-26248, SMR003500744, [2.2.1]heptan-2-yl)-4-oxo-1,4-, AX8123394, D07774, AB01566811_01, Danofloxacin, VETRANAL(TM), analytical standard, C-20813, SR-01000872586, SR-01000872586-1, 1-cyclopropyl-6-fluoro-7-[(1s,4s)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, 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-, Advocid, Advocin, Danofloxacin mesylate, Danofloxacin < Rec INN, D09CFM, CP-76136-27 (mesylate), dihydroquinoline-3-carboxylic acid, KST-1A0626, CID71335, AR-1A1401, C19-H20-F-N3-O3, CP-76136, C068581, 1134-61-8, 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, BAN,

Complexity	679
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	357.149g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	357.385g/mol
Monoisotopic Mass	357.149g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	64.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H319-H373-H412
Packing Group	Ⅲ
Precautionary statements	P264-P280-P260-P273-P305+P351+P338-P337+P313-P314-P501
UN Code	UN 2811

Certificate of Analysis

Lot Number