Mrv0541 02241219432D          

  5  3  0  0  0  0            999 V2000
   -0.1395   -0.9899    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -0.7004   -0.2461    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0406    0.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0406    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7004   -0.2461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
DB09395

> <DATABASE_NAME>
drugbank

> <SMILES>
[Na+].CC([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1

> <INCHI_KEY>
VMHLLURERBWHNL-UHFFFAOYSA-M

> <FORMULA>
C2H3NaO2

> <MOLECULAR_WEIGHT>
82.0338

> <EXACT_MASS>
82.003074015

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.9965172324271198

> <JCHEM_AVERAGE_POLARIZABILITY>
4.95598679393429

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium acetate

> <ALOGPS_LOGP>
-0.20

> <JCHEM_LOGP>
-0.2233457143333334

> <ALOGPS_LOGS>
0.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.543439679000835

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
23.480800000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.29e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09395

> <SECONDARY_ACCESSION_NUMBERS>
DB09470

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Sodium acetate

> <SYNONYMS>
Acetato de sodio; acetic acid, sodium salt; Acetic acid, sodium salt (1:1); anhydrous sodium acetate; Natriumazetat; Sodio acetato; Sodium acetate anhydrous; Sodium acetate, anhydrous; Sodium acetate,anhydrous

> <PRODUCTS>
16.4% Sodium Acetate Injection, USP; 2.5% Travasol Amino Acid Injection With Electrolytes In 10% Dextrose; 2.5% Travasol Amino Acid Injection With Electrolytes In 10% Dextrose Clinimix; 2.5%travasol Amino Acid InJ.W.eleC.W.25%dex; 2.75% Travas. Amino Acid InJ.W.elecw.25%dex; 2.75% Travasol Amino Acid Injection With Electrolytes In 25% Dextrose Quickmix; 2.75% Travasol Amino Acid Injection With Electrolytes In 5% Dextrose Quickmix; 2.75%travasol Amino Acid InJ.W.eleC.W.5%dex.; 4.25% Travasol Amino Acid Injection With Electrolytes In 10% Dextrose; 4.25% Travasol Amino Acid Injection With Electrolytes In 20% Dextrose; 4.25% Travasol Amino Acid Injection With Electrolytes In 20% Dextrose Quickmix; 4.25% Travasol Amino Acid Injection With Electrolytes In 25% Dextrose; 4.25% Travasol Amino Acid Injection With Electrolytes In 5% Dextrose Quickmix; 4.25%travasol Amino Acid InJ.W.elecw.5%dex.; 5% Travasol Amino Acid Injection With Electrolytes In 20% Dextrose; Acetate Concentrate R07376; Aminosyn 10% W Electrolytes; Amo Endosol Solution; Balanced Salt; Balanced Salt Solution; Bss; Bss Sterile Irrigating Solution; Citrasate C0125; Citrasate C10125; Citrasate C1125; Citrasate C1150; Citrasate C2125; Citrasate C2150; Citrasate C3125; Citrasate C3150; Citrasate C4125; Clinimix; Clinimix E; Cytosol Ophthalmics - Balanced Salt Solution; D-12043 Sol Conc Electrolyt Pour Dialy; D12006; D12034 Conc Electrolyte Renal Dialysis; D12046 Conc Electrolyte Renal Dialysis; Dextrose 50% Inj W Electrolytes PF Abbovac; FreAmine III; H.E.L.P. Acetate Buffer Ph 4.85; Hemosate Ultra Hs0125; Hemosate Ultra Hs1125; Hemosate Ultra Hs1150; Hemosate Ultra Hs2125; Hemosate Ultra Hs2150; Hemosate Ultra Hs3125; Hemosate Ultra Hs3150; Hemosate Ultra Hs4125; Hyperlyte (multi-electrolyte Concentrate); Hyperlyte CR; Hyperlyte CR Multi-electrolyte Concentrate; InterSol; Iocare Balanced Salt Solution; Isolyte H With Dextrose 5% Inj; Isolyte H in Dextrose; Isolyte M In 5% Dextrose; Isolyte M in Dextrose; Isolyte P in Dextrose; Isolyte R In 5% Dextrose; Isolyte S; Isolyte S (multi-electrolyte Injection); Isolyte S Ph 7.4 (multi-electrolyte Injection); Isolyte S With 5% Dextrose Inj; Isolyte S in Dextrose; Isolyte S pH 7.4; Isoplate; Kabiven; Lypholyte; Lypholyte Multi-electrolyte Conc Inj; Multiple Electrolyte Additive Liq Formula 1; Multiple Electrolytes pH 5.5; Multiple Electrolytes pH 7.4; Normosol-R; Normosol-R & 5% Dextrose; Normosol-R and Dextrose; Nutrilyte; Nutrilyte II; Odan Balanced Salt Solution; Olimel 3.3% E; Olimel 4.4% E; Olimel 5.7% E; Olimel 7.6% E; Perikabiven; Periolimel 2.5% E; Physiolyte; Physiosol; Plasma-Lyte 148; Plasma-Lyte 148 and dextrose; Plasma-Lyte A; Plasma-Lyte M and Dextrose; Plasma-Lyte R; Plasma-lyte A Injection; Plasmalyte 148 In 5% Dextrose Inj; Plasmalyte 148 In Water; Prenatal Plus; ProcalAmine; Quick Mix 2.5% Travasol Aa With Electrolytes With 25% Dextrose Injec; Rs-274; Smofkabiven; Smofkabiven Extra Nitrogen; Smofkabiven Peripheral; Sodium Acetate; Sodium Acetate Inj 328mg/ml USP; Sodium Acetate Injection USP; Sodium Acetate Injection, USP; Sodum Acetate; Solucion InterSol; Ssp+; TPN Electrolytes; Travasol; Travasol Amino Acid Inj 5.5%; Travasol Amino Acid Inj 8.5%; Travasol E

> <SALTS>
Sodium acetate trihydrate

$$$$