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CAS 151250-76-9 N,N’-Desethylene Levofloxacin Hydrochloride molecular structure lightbox
CAS RN: 151250-76-9

N,N’-Desethylene Levofloxacin Hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250703 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS151250-76-9
  • Purity/Analytical Methods: >99.0%
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151250-76-9 / (2S)-7-fluoro-2-methyl-6-[2-(methylamino)ethylamino]-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

Standard CAS: 151250-76-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151250-76-9
Multi CAS
No
Molecular Formula
C16H18FN3O4
Molecular Weight
335.330000
Exact Mass
335.128134
SMILES
C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2NCCNC)F)C(=O)O
InChI
InChI=1S/C16H18FN3O4/c1-8-7-24-15-12(19-4-3-18-2)11(17)5-9-13(15)20(8)6-10(14(9)21)16(22)23/h5-6,8,18-19H,3-4,7H2,1-2H3,(H,22,23)/t8-/m0/s1
InChIKey
DTSGFABJBJMJFG-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
3
Molar refractivity
87.75
TPSA
92.59

LogP / Solubility

WLOGP
1.42
MLOGP
1.27
XLogP3
-0.8
Consensus LogP
0.63
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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