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Gemifloxacin-[13C2,d2]

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Gemifloxacin-[13C2,d2]

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General Information
Catalog: BLP-006926
CAS: 1185236-78-5
Molecular Formula: C16[13C]2H18D2FN5O4
Molecular Weight: 393.38

Chemical Structure

Description	Gemifloxacin-[13C2,d2] is the labelled derivative of Gemifloxacin, a third generation fluorinated quinolone antibacterial.
Synonyms	7-[3-(Aminomethyl)-4-(methoxyimino)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid-13C2,d2; SB-265805-13C2,d2; LB-20304-13C2,d2
IUPAC Name	7-[3-[amino(dideuterio)methyl]-4-(methoxymethylidene)(4,5-13C2)azolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-3H-1,8-naphthyridin-1-ium-3-carboxylic acid
Related CAS	175463-14-6 (unlabelled)
Canonical SMILES	COC=C1CN(CC1CN)C2=C(C=C3C(=O)C(C=[N+](C3=N2)C4CC4)C(=O)O)F
InChI	InChI=1S/C19H21FN4O4/c1-28-9-11-7-23(6-10(11)5-21)18-15(20)4-13-16(25)14(19(26)27)8-24(12-2-3-12)17(13)22-18/h4,8-10,12,14H,2-3,5-7,21H2,1H3/p+1/i5D2,7+1,11+1
InChI Key	CHMUJQRAQUUCCO-KLXHJOONSA-O
Melting Point	235-237°C
Purity	98% by CP
Appearance	Off-white Amorphous Solid