Besifloxacin HCl

Basic Information

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CAS Number

405165-61-9

Molecular Formula

C19H22Cl2FN3O3

Molecular Weight

430.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

>210°C (dec.)

Boiling Point

607 °C at 760 mmHg

Flash Point

320.9 °C

SMILES

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O=C(C1=CN(C2CC2)C3=C(C=C(F)C(N4C[C@H](N)CCCC4)=C3Cl)C1=O)O.[H]Cl

InChI

InChI=1S/C19H21ClFN3O3.ClH/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23;/h7,9-11H,1-6,8,22H2,(H,26,27);1H/t10-;/m1./s1

InChIKey

PMQBICKXAAKXAY-HNCPQSOCSA-N

LogP

3.566500000000002

Topological Polar Surface Area

88.56000000000002 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

656

Synonyms & References

English

Besifloxacin HCl
Besifloxacin Hydrochloride
(R)-7-(3-aminoazepan-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carbox...
(R)-7-(3-Aminohexahydro-1H-azepin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid hydrochloride
Besivance
Besifloxacin (Hydrochloride)
Besifloxacin HCl (Besivance)
Besifloxacin hydrochloride [USAN]
7506A6J57T
Besifloxacin hydrochloride (USAN)
BOL 303224a
besifloxacin-hci
Besivance (TN)
Besivance hydrochloride
C19H22Cl2FN3O3
AOB5079
SS734
s3055
BG0675
API0007512
7-[(3R)-3-Aminohexahydro-1H-azepin-1-yl]-8-chlo
(R)-7-(3-aminoazepan-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
hydrochloride (1:1)

MDL Number

MFCD14636632

FAQ

What are the physical and chemical properties of Besifloxacin HCl (CAS: 405165-61-9)?

Besifloxacin HCl is a white to off-white crystalline powder with a molecular weight of approximately 448.76 g/mol. It is slightly soluble in water and ethanol. Chemically, it is a hydrochloride salt of besifloxacin, which is a fluoroquinolone antibiotic. Besifloxacin HCl is known for its anti-inflammatory and antimicrobial properties.

How is Besifloxacin HCl (CAS: 405165-61-9) typically synthesized?

Besifloxacin HCl is synthesized through a multi-step process that includes reactions such as alkylation, hydrogenation, and amidation. The key reagents and conditions include the use of hydrogen, borane in tetrahydrofuran (THF), and various solvents. The final step involves the addition of hydrochloric acid to form the hydrochloride salt. The overall yield is around 70-80%, with high selectivity towards the desired product.

What industries use Besifloxacin HCl (CAS: 405165-61-9)?

Besifloxacin HCl is primarily used in the pharmaceutical industry for the treatment of ocular infections and inflammation. It is the active ingredient in certain eye drops used in ophthalmology. Due to its broad-spectrum antimicrobial activity and anti-inflammatory properties, it has gained significant attention in ophthalmic drug formulations.

What precautions should be taken when handling Besifloxacin HCl (CAS: 405165-61-9)?

When handling Besifloxacin HCl, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a laboratory coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be ventilated. Safety data sheets (SDS) should be consulted for detailed emergency procedures and handling guidelines.