Mrv1652312081619462D          

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M  END
> <DATABASE_ID>
DBSALT001078

> <DATABASE_NAME>
drugbank

> <SMILES>
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC(C(O)C1=CC=C(O)C=C1)N1CCC(CC2=CC=CC=C2)CC1.CC(C(O)C1=CC=C(O)C=C1)N1CCC(CC2=CC=CC=C2)CC1

> <INCHI_IDENTIFIER>
InChI=1S/2C21H27NO2.C4H6O6/c2*1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17;5-1(3(7)8)2(6)4(9)10/h2*2-10,16,18,21,23-24H,11-15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1

> <INCHI_KEY>
DMPRDSPPYMZQBT-CEAXSRTFSA-N

> <FORMULA>
C46H60N2O10

> <MOLECULAR_WEIGHT>
800.99

> <EXACT_MASS>
800.42479614

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
118

> <JCHEM_AVERAGE_POLARIZABILITY>
37.50744772783454

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R)-2,3-dihydroxybutanedioic acid; bis(4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol)

> <ALOGPS_LOGP>
3.98

> <JCHEM_LOGP>
3.5710014461647885

> <ALOGPS_LOGS>
-3.49

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
14.022389337135788

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.66631038886235

> <JCHEM_PKA_STRONGEST_BASIC>
9.025073855378915

> <JCHEM_POLAR_SURFACE_AREA>
43.7

> <JCHEM_REFRACTIVITY>
98.34950000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.05e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L(+)-tartaric acid; bis(ifenprodil)

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001078

> <NAME>
Ifenprodil tartrate

> <DRUG_DRUGBANK_ID>
DB08954

> <DRUG_NAME>
Ifenprodil

> <CAS_NUMBER>
23210-58-4

> <UNII>
89CTB4XUF7

$$$$