Potassium antimony tartrate

Odors

No information available

Receptor Interaction

No receptors available

General Information

Common Name: Potassium antimony tartrate
IUPAC Name: potassium;antimony(3+);2,3-dihydroxybutanedioate
Molecular Formula: C8H8KO12Sb
SMILES: C(C(C(=O)[O-])O)(C(=O)[O-])O.C(C(C(=O)[O-])O)(C(=O)[O-])O.[K+].[Sb+3]
Inchi: 1S/2C4H6O6.K.Sb/c2*5-1(3(7)8)2(6)4(9)10;;/h2*1-2,5-6H,(H,7,8)(H,9,10);;/q;;+1;+3/p-4
Inchi Key: IIQJBVZYLIIMND-UHFFFAOYSA-J
Cas No: 16039-64-8

Functional Group

Drug Likeness

Name Value
Lipinski Violations 1
Ghose Violations 1
Veber Violations 1
Egan Violations 1
Muegge Violations 3

Cross References

PubChem: 56846568
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 457.00
Mass (g/mol) 455.869
Molar Refractivity 46.65
Net Charge
HBD 4
HBA 12
Rt Bonds 6
Rings
TPSA 241.44
Hetero Atoms
Heavy Atoms 22
Aromatic Heavy Atoms 0
Melting Point (°C)
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.50
LogP
iLOGP 0.00
XLOGP3 -3.77
WLOGP -9.58
MLOGP -3.92
ESOL Log S 0.10
ESOL Solubility (mg/ml) 572
ESOL Solubility (mol/l) 1.25
ESOL Class: esol_class Highly soluble
Ali Log S -0.71
Ali Solubility (mg/ml) 89.2
Ali Solubility (mol/l) 0.2
Ali Class Very soluble
Silicos-IT LogSw 2.44
Silicos-IT Solubility (mg/ml) 127000
Silicos-IT Solubility (mol/l) 278
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 1
Log Kp (cm/s) -11.76
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 0
Plasm Protein Binding 0.452
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 3.429
Carcinogenicity (Binary) 0
Carcinogenicity (Trinary) Non-required
Eye Irritation 0
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