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CAS 105440-01-5 Norfloxacin EP Impurity H molecular structure lightbox
CAS RN: 105440-01-5

Norfloxacin EP Impurity H

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250601 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS105440-01-5
  • Purity/Analytical Methods: >99.0%
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105440-01-5 / 7-(4-ethoxycarbonylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

N-Ethoxycarbonyl Norfloxacin | Norfloxacin EP Impurity H | NORFLOXACIN IMPURITY H

Standard CAS: 105440-01-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
105440-01-5
Multi CAS
No
Molecular Formula
C19H22FN3O5
Molecular Weight
391.400000
Exact Mass
391.154349
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)OCC)F)C(=O)O
InChI
InChI=1S/C19H22FN3O5/c1-3-21-11-13(18(25)26)17(24)12-9-14(20)16(10-15(12)21)22-5-7-23(8-6-22)19(27)28-4-2/h9-11H,3-8H2,1-2H3,(H,25,26)
InChIKey
RSAMZLZRMSYMNT-UHFFFAOYSA-N
Synonyms
N-Ethoxycarbonyl Norfloxacin Norfloxacin EP Impurity H NORFLOXACIN IMPURITY H 62E12EXJ4N 7-(4-ethoxycarbonylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
10
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
101.61
TPSA
92.08

LogP / Solubility

WLOGP
2.14
MLOGP
1.9
XLogP3
1.9
Consensus LogP
1.98
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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