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Acorafloxacin

Catalog Number: EVT-253499

CAS Number: 878592-87-1

Molecular Formula: C21H23F2N3O4

Molecular Weight: 419.4 g/mol

The product is for non-human research only. Not for therapeutic or veterinary use.

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Product Introduction

Description

Acorafloxacin, also known as JNJ-Q2 and JNJ-32729463-AAA, is an antibacterial drug agent.

Properties

CAS Number

878592-87-1

Product Name

Acorafloxacin

IUPAC Name

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

Molecular Formula

C21H23F2N3O4

Molecular Weight

419.4 g/mol

InChI

InChI=1S/C21H23F2N3O4/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)/b16-11+

InChI Key

VMKVDAAFMQKZJS-LFIBNONCSA-N

SMILES

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

Synonyms

JNJ-32729463; JNJ 32729463; JNJ32729463; JNJ-32729463-AAA; JNJ32729463-AAA; JNJ 32729463-AAA; JNJ-Q2; Acorafloxacin;(E)-7-(3-(2-amino-1-fluoroethylidene)piperidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Canonical SMILES

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

Isomeric SMILES

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

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