Mrv1533004261507322D          

 16 12  0  0  0  0            999 V2000
    1.3480    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336    2.3645    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059    0.3020    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0809    2.7770    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.9204   -0.1105    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  5 13  1  0  0  0  0
M  CHG  6   4  -1   9  -1  12  -1  14   1  15   1  16   1
M  END
> <DATABASE_ID>
DB09154

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3

> <INCHI_KEY>
HRXKRNGNAMMEHJ-UHFFFAOYSA-K

> <FORMULA>
C6H5Na3O7

> <MOLECULAR_WEIGHT>
258.068

> <EXACT_MASS>
257.97283534

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
14.225921410589983

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trisodium 2-hydroxypropane-1,2,3-tricarboxylate

> <ALOGPS_LOGP>
-0.55

> <JCHEM_LOGP>
-1.3226874519999998

> <ALOGPS_LOGS>
-0.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
4.674836176324

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.0479515131680732

> <JCHEM_PKA_STRONGEST_BASIC>
-4.185693450231931

> <JCHEM_POLAR_SURFACE_AREA>
140.61999999999998

> <JCHEM_REFRACTIVITY>
68.13520000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.37e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trisodium citrate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09154

> <SECONDARY_ACCESSION_NUMBERS>
DB09159

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Sodium citrate

> <SYNONYMS>
Anhydrous sodium citrate; Anhydrous trisodium citrate; Citric acid, trisodium salt; Natrii citras; Natrocitral; Sodium citrate anhydrous; Sodium citrate, anhydrous; Sodium citrate,anhydrous; trisodium citrate anhydrous; Trisodium citrate concentration; Trisodium citrate, anhydrous; Trisodium-citrate

> <PRODUCTS>
A-C-D Solution; ACD Blood-Pack Units (PL 146 Plastic); ADSOL Red Cell Preservation Solution System in Plastic Container (PL 146 Plastic); Acd A; Acd-A; Additive Formula 3; Additive Solution Formula 3 As-3; Adsol Red Cell Preservation; Amo Endosol Solution; Anticoagulant Cit Phos Dex Adenine Sol USP; Anticoagulant Citrate Dextr Sol Formula A USP; Anticoagulant Citrate Dextrose (ACD-A); Anticoagulant Citrate Dextrose A; Anticoagulant Citrate Dextrose A ACD-A; Anticoagulant Citrate Dextrose Solution USP (acd) Formula A; Anticoagulant Citrate Dextrose Solution USP (acd) Formula B; Anticoagulant Citrate Dextrose Solution-A; Anticoagulant Citrate Phosphate Dextrose (CPD) Blood-Pack Units in PL 146 Plastic; Anticoagulant Sod Citrate Soltn 4gm/100ml; Anticoagulant Sodium Citrate; Anticoagulant Sodium Citrate 4% W/V Solution, USP; Anticoagulant Sodium Citrate Sol 4% USP; Anticoagulant Sodium Citrate Solution USP; Anticoagulant Sodium Citrate Solution, USP; Anticoagulant Solution Citrate Phosphate Dextrose (CPD); As 3; Balanced Salt; Balanced Salt Solution; Blood Pack Unit Cpd; Bromo Seltzer; Bronchodex Fort-DM Syr; Bss; Bss Sterile Irrigating Solution; CPD Solution; CPD/ADSOL Red Cell Preservation Solution System (PL 2209); CPDA-1 Blood Collection System; CVS Health Nausea Relief; Citrocarbonate Eff Pws; Cpd; Cpd Adenine Cpda 1; Cpd/adsol; Cpda-1; Cytosol Ophthalmics - Balanced Salt Solution; Cytra 3; Cytra-2; Dalmacol; Emetrol Chewables; Emetrol Chewables Mixed Berry; Emetrol Chewables Orange; Emetrol Powder Non-Drowsy; EnLyte; Enl; Fluad Tetra; Haemonetics Additive Solution Formula 3 (AS-3); Haemonetics Anticoagulant Citrate Dextrose Solution; Haemonetics Anticoagulant Citrate Phosphate Double Dextrose Solution (CP2D); Haemonetics Anticoagulant Sodium Citrate; IMUFLEX WB-RP Blood Bag System with Integral Whole Blood Leukocyte Reduction Filter (Removing Platelets) with Diversion Blood Sampling Arm Anticoagulant Citrate Phosphate Dextrose (CPD) AND OPTISOL (AS-5) Red Cell Preservative; IMUFLEX WB-SP Blood Bag System with Integral Whole Blood Leukocyte Reduction Filter (Saving Platelets) with Diversion Blood Sampling Arm Anticoagulant Citrate Phosphate Dextrose (CPD) and OPTISOL (AS-5) Red Cell Preservative; Imuflex Wb-SP Blood Bag System With Integral Whole Blood Leukocyte Reduction Filter (saving Platelets) With Diversion Blood Sampling Arm; InterSol; Iocare Balanced Salt Solution; Lemon Eno 2650mg/pck; Leucoflex CGP; Leukotrap WB System; Lytren; Lytren Rhs Liq; MTL1 Leucoflex; Mercodol With Decapryn; Metrate; Microlax Micro Enema; Microlax Micro-enema; Nauzene; Nauzene Grape; Neo Tuss Syr; Nutricel Additive System - CP2D; Odan Balanced Salt Solution; Oracit; Oral Citrate Solution; Orange Eno 2645mg/pck; Pall Sterile Cord Blood Collection Unit; Pleo Alkala Antacid; Potassium Citrate, Sodium Citrate, and Citric Acid; Potassium Citrate-Sodium Citrate-Citric Acid; PramLyte; Puralor; Ratio-calmydone; Regiocit; Rehydralyte; Reveos Select CPD/AS-5 Red Cell Preservative For Collection Of Blood; Sodium Citrate; Sodium Citrate 4% w/v Anticoagulant; Sodium Citrate Blood Pack Units, (PL 146 Plastic); Sodium Citrate Blood-Pack Units, (PL 146 Plastic); Sodium Citrate and Citric Acid; Sodium Citrate w/v Anticoagulant; Sodium Citrate-Citric Acid; Solucion InterSol; Ssp+; Sterile Cord Blood Collection Unit; Sterile Cord Blood Collection Unit (MSC127D); Sterile Cord Blood Collection Unit (MSC128D); Sterile Cord Blood Collection Unit (msc123d); TERUFLEX Blood Bag System Anticoagulant Citrate Phosphate Dextrose (CPD) AND OPTISOL Red Cell Preservative; TERUFLEX Blood Bag System Anticoagulant Citrate Phosphate Dextrose Adenine (CPDA-1); TERUFLEX Blood Bag System with Blood Sampling Arm Anticoagulant Citrate Phosphate Dextrose (CPD) AND OPTISOL (AS-5) Red Cell Preservative; TERUFLEX Blood Bag System with Diversion Blood Sampling Arm Anticoagulant Citrate Phosphate Dextrose (CPD) AND OPTISOL (AS-5) Red Cell Preservative; Tricitrates; Virtrate-2; Virtrate-3; Vito Bronches Sirop; triCitrasol

> <SALTS>
Sodium citrate dihydrate

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