structure of Avarofloxacin hydrochloride

Avarofloxacin hydrochloride

CAS No.: 1001162-01-1
M. Wt: 455.88300
M. Fa: C21H24ClF2N3O4
InChI Key: RDXCNSOGHLLWDV-YFMOEUEHSA-N

Names and Identifiers of Avarofloxacin hydrochloride

CAS Number

1001162-01-1

IUPAC Name

7-[(3E)-3-(2-amino-1-fluoroethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride

InChI

InChI=1S/C21H23F2N3O4.ClH/c1-30-20-17-13(19(27)14(21(28)29)10-26(17)12-4-5-12)7-15(22)18(20)25-6-2-3-11(9-25)16(23)8-24;/h7,10,12H,2-6,8-9,24H2,1H3,(H,28,29);1H/b16-11+;

InChIKey

RDXCNSOGHLLWDV-YFMOEUEHSA-N

Canonical SMILES

COC1=C2C(=CC(=C1N3CCCC(=C(CN)F)C3)F)C(=O)C(=CN2C4CC4)C(=O)O.Cl

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCC/C(=C(/CN)\F)/C3)F)C(=O)C(=CN2C4CC4)C(=O)O.Cl

UNII

1NWW5SKQ0N

Physical and chemical properties of Avarofloxacin hydrochloride

Exact Mass

455.14200

LogP

4.53210

Molecular Formula

C21H24ClF2N3O4

Molecular Weight

455.88300

PSA

97.79000