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Disodium succinate

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Disodium succinate
IUPAC Name: disodium;butanedioate
Molecular Formula: C4H6O4
SMILES: C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+]
Inchi: 1S/C4H6O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2
Inchi Key: ZDQYSKICYIVCPN-UHFFFAOYSA-L
Cas No: 150-90-3

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 3
Veber Violations 0
Egan Violations 0
Muegge Violations 2

Cross References

PubChem: 9020
Zinc: ZINC895030
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 162.05
Mass (g/mol) 161.99
Molar Refractivity 21.00
Net Charge -2
HBD
HBA 4
Rt Bonds 3
Rings
TPSA 80.26
Hetero Atoms 4
Heavy Atoms 10
Aromatic Heavy Atoms 0
Melting Point (°C) 156.00 to 157.00
Boiling Point (°C@760.00mm Hg) 426.00 to 427.00
Vapor Pressure (mmHg@25.00 °C) 0.0165
Vapor Density (Air =1)
Fraction Csp3 0.50
LogP -0.064
iLOGP -19.59
XLOGP3 -0.59
WLOGP -2.73
MLOGP -0.54
ESOL Log S -0.28
ESOL Solubility (mg/ml) 86
ESOL Solubility (mol/l) 0.531
ESOL Class: esol_class Very soluble
Ali Log S -0.62
Ali Solubility (mg/ml) 38.5
Ali Solubility (mol/l) 0.24
Ali Class Very soluble
Silicos-IT LogSw 0.61
Silicos-IT Solubility (mg/ml) 666
Silicos-IT Solubility (mol/l) 4.11
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 1
Log Kp (cm/s) -7.71
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 0
Plasm Protein Binding 0.293
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 2.982
Carcinogenicity (Binary) 0
Carcinogenicity (Trinary) Non-required
Eye Irritation 1
Hepatotoxicity 0
Androgen Receptor Binding 0
Aromatase Binding 0
Estrogen Receptor Binding 0
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