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Naproxen sodium

Odors

No information available

Receptor Interaction

No receptors available
Image
2D Structure
3D Conformer
image of chemical
 

General Information

Common Name: Naproxen sodium
IUPAC Name: sodium;(2S)-2-(6-methoxynaphthalen-2-yl)propanoate
Molecular Formula: C14H13NaO3
SMILES: CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-].[Na+]
Inchi: 1S/C14H14O3.Na/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;/h3-9H,1-2H3,(H,15,16);/q;+1/p-1/t9-;/m0./s1
Inchi Key: CDBRNDSHEYLDJV-FVGYRXGTSA-M
Cas No: 26159-34-2

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 0
Veber Violations 0
Egan Violations 0
Muegge Violations 0

Cross References

PubChem: 23681059
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 229.25
Mass (g/mol) 252.076
Molar Refractivity 64.85
Net Charge
HBD
HBA 3
Rt Bonds 3
Rings
TPSA 49.36
Hetero Atoms
Heavy Atoms 17
Aromatic Heavy Atoms 10
Melting Point (°C)
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.21
LogP
iLOGP 1.92
XLOGP3 3.34
WLOGP 1.70
MLOGP 2.57
ESOL Log S -3.60
ESOL Solubility (mg/ml) 0.057
ESOL Solubility (mol/l) 0
ESOL Class: esol_class Soluble
Ali Log S -4.05
Ali Solubility (mg/ml) 0.02
Ali Solubility (mol/l) 0
Ali Class Moderately soluble
Silicos-IT LogSw -4.02
Silicos-IT Solubility (mg/ml) 0.02
Silicos-IT Solubility (mol/l) 0
Silicos-IT Class Moderately soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 1
PgP Substrate 0
Log Kp (cm/s) -5.33
Bioavailability Score 0.85
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.985
CYP1A2 Inhibitor 1
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 1.064
Carcinogenicity (Binary) 0
Carcinogenicity (Trinary) Non-required
Eye Irritation 1
Hepatotoxicity 1
Androgen Receptor Binding 1
Aromatase Binding 1
Estrogen Receptor Binding 1
Glucocorticoid Receptor Binding 0
Thyroid Receptor Binding 0
BRCP inhibitor 0
BSEP inhibitor 0
OATP1B1 inhibitor 1
OATP1B3 inhibitor 1
OATP2B1 inhibitor 0
OCT1 inhibitor 0
OCT2 inhibitor 0