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CAS 103222-12-4 DESETHYLENE CIPROFLOXACIN molecular structure lightbox
CAS RN: 103222-12-4

DESETHYLENE CIPROFLOXACIN

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250417 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS103222-12-4
  • Purity/Analytical Methods: >99.0%
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103222-12-4 / 7-(2-aminoethylamino)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

Desethylene ciprofloxacin | Ciprofloxacin-7-ethylenediamine | Desethyleneciprofloxacin

Standard CAS: 103222-12-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103222-12-4
Multi CAS
Yes
Molecular Formula
C15H16FN3O3
Molecular Weight
305.300000
Exact Mass
305.117570
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)NCCN)F)C(=O)O
InChI
InChI=1S/C15H16FN3O3/c16-11-5-9-13(6-12(11)18-4-3-17)19(8-1-2-8)7-10(14(9)20)15(21)22/h5-8,18H,1-4,17H2,(H,21,22)
InChIKey
ZYLULTURYPAERI-UHFFFAOYSA-N
Synonyms
Desethylene ciprofloxacin Ciprofloxacin-7-ethylenediamine Desethyleneciprofloxacin 7-Aea-ciprofloxcin 7-Ethylenediamine ciprofloxacin

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
80.94
TPSA
97.35

LogP / Solubility

WLOGP
1.54
MLOGP
1.37
XLogP3
-1.5
Consensus LogP
0.47
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly 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)
-3.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Acute Toxic Environmental Hazard Irritant
Signal
Danger Warning
GHS Hazard Statements
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral] H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (97.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 P264, P270, P273, P301+P317, P330, P391, and P501

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