Chemical Properties of Ciprofloxacin (CAS 85721-33-1)

Ciprofloxacin

InChI
InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
InChI Key
MYSWGUAQZAJSOK-UHFFFAOYSA-N
Formula
C17H18FN3O3
SMILES
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Molecular Weight1
331.34
CAS
85721-33-1
Other Names
  • 1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-qiunolinecarboxylic acid (ciprofloxacin)
  • 1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
  • 1-Cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydro-3-quinolinecarboxylic acid
  • 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-
  • 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
  • BAY-o 9867
  • Bay q 3939
  • Ciflox
  • Ciprine
  • Cipro IV
  • Ciprobay
  • Ciprofloxacine
  • Ciproxan
  • Ciproxin
  • Ciproxina
  • Velmonit
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Physical Properties

Property Value Unit Source
ω 1.0156 Relay (1.0) Calculated Property
Δf -96.96 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas -514.32 kJ/mol Relay (1.0) Calculated Property
Δvap 145.93 kJ/mol Relay (1.0) Calculated Property
IE 8.12 eV Relay (1.0) Calculated Property
log10WS -3.60 Aq. Solubility Prediction
logPoct/wat 1.583 Crippen Calculated Property
McVol 230.470 ml/mol McGowan Calculated Property
Pc 1436.10 kPa Relay (1.0-beta) Calculated Property
Tboil 725.24 K Relay (1.0) Calculated Property
Tc 1090.80 K Relay (1.0) Calculated Property
Tfus 543.00 K Sublimation thermodynamics of four fluoroquinolone antimicrobial compounds
Vc 0.855 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 64.48 kJ/mol 541.50 NIST

Similar Compounds

Norfloxacin. Enrofloxacin. nitrofurantoin. Moexipril desethyl 3Me (Moexprilate 3Me). Moexipril Me. Methysergide. Heptafluorobutyryl-codeine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

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Mixtures

Sources

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