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CAS 119478-55-6 Danofloxacin mesylate, 分析对照品 molecular structure lightbox
CAS RN: 119478-55-6

Danofloxacin mesylate, 分析对照品

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260307 100g In stock Shanghai Inquiry
Batchno.20250104 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250624 25g In stock Shanghai, Chengdu Inquiry
Batchno.20260527 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250715 100mg In stock Shanghai, Shandong Inquiry
Batchno.20260602 500mg In stock Shanghai, Guangdong Inquiry
  • Product code: LIND807699
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119478-55-6 / 1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid

Danofloxacin mesylate | DANOFLOXACIN MESILATE | Advocid

Standard CAS: 119478-55-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
119478-55-6
Multi CAS
Yes
Molecular Formula
C20H24FN3O6S
Molecular Weight
453.500000
Exact Mass
453.136985
SMILES
CN1C[C@@H]2C[C@H]1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F.CS(=O)(=O)O
InChI
InChI=1S/C19H20FN3O3.CH4O3S/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10;1-5(2,3)4/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26);1H3,(H,2,3,4)/t11-,12-;/m0./s1
InChIKey
APFDJSVKQNSTKF-FXMYHANSSA-N
Synonyms
Danofloxacin mesylate DANOFLOXACIN MESILATE Advocid Danofloxacin Methanesulfonate CP-76136-27

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
2
Molar refractivity
113.04
TPSA
120.15

LogP / Solubility

WLOGP
1.57
MLOGP
1.41
XLogP3
1.57
Consensus LogP
1.52
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P273, P319, and P501

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