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CAS 210353-53-0 Gemifioxacin mesylate molecular structure lightbox
CAS RN: 210353-53-0

Gemifioxacin mesylate

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250527 100mg In stock Shanghai Inquiry
Batchno.20260126 10mg In stock Shanghai Inquiry
Batchno.20260502 1g In stock Shanghai Inquiry
Batchno.20250808 1mg In stock Shanghai Inquiry
Batchno.20250228 250mg In stock Shanghai Inquiry
Batchno.20250927 25mg In stock Shanghai Inquiry
Batchno.20251115 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS210353-53-0
  • Purity/Analytical Methods: >99.0%
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210353-53-0 / 7-[(4Z)-3-(aminomethyl)-4-methoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid

Standard CAS: 210353-53-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210353-53-0
Multi CAS
No
Molecular Formula
C19H24FN5O7S
Molecular Weight
485.500000
Exact Mass
485.138047
SMILES
CO/N=C/1\CN(CC1CN)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F.CS(=O)(=O)O
InChI
InChI=1S/C18H20FN5O4.CH4O3S/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17;1-5(2,3)4/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27);1H3,(H,2,3,4)/b22-14+;
InChIKey
JIYMVSQRGZEYAX-CWUUNJJBSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
10
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
3
Molar refractivity
117.87
TPSA
177.41

LogP / Solubility

WLOGP
0.47
MLOGP
0.45
XLogP3
0.47
Consensus LogP
0.46
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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