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CAS 106017-08-7 Rufloxacin hydrochloride molecular structure lightbox
CAS RN: 106017-08-7

Rufloxacin hydrochloride

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251018 100mg In stock Shanghai Inquiry
Batchno.20260603 50mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS106017-08-7
  • Purity/Analytical Methods: >99.0%
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106017-08-7 / 7-fluoro-6-(4-methylpiperazin-1-yl)-10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride

RUFLOXACIN HYDROCHLORIDE | MF-934 | Qari

Standard CAS: 106017-08-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106017-08-7
Multi CAS
No
Molecular Formula
C17H19ClFN3O3S
Molecular Weight
399.900000
Exact Mass
399.081969
SMILES
CN1CCN(CC1)C2=C(C=C3C4=C2SCCN4C=C(C3=O)C(=O)O)F.Cl
InChI
InChI=1S/C17H18FN3O3S.ClH/c1-19-2-4-20(5-3-19)14-12(18)8-10-13-16(14)25-7-6-21(13)9-11(15(10)22)17(23)24;/h8-9H,2-7H2,1H3,(H,23,24);1H
InChIKey
LPQOADBMXVRBNX-UHFFFAOYSA-N
Synonyms
RUFLOXACIN HYDROCHLORIDE MF-934 Qari DTXSID0045709 1643374N6L

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.41
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
102.81
TPSA
65.78

LogP / Solubility

WLOGP
2.12
MLOGP
1.89
XLogP3
2.12
Consensus LogP
2.04
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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