Mrv1652305111718482D          

 55 56  0  0  0  0            999 V2000
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M  END
> <DATABASE_ID>
DB11602

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(O)COCC1OC(OC2C(COCC(C)O)OC(OCC(C)O)C(OCC(C)O)C2OCC(C)O)C(OCC(C)O)C(OCC(C)O)C1OCC(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C36H70O19/c1-19(37)9-45-17-27-29(47-11-21(3)39)31(48-12-22(4)40)34(51-15-25(7)43)36(54-27)55-30-28(18-46-10-20(2)38)53-35(52-16-26(8)44)33(50-14-24(6)42)32(30)49-13-23(5)41/h19-44H,9-18H2,1-8H3

> <INCHI_KEY>
DFJVHKAPIXJTSC-UHFFFAOYSA-N

> <FORMULA>
C36H70O19

> <MOLECULAR_WEIGHT>
806.937

> <EXACT_MASS>
806.451130034

> <JCHEM_ACCEPTOR_COUNT>
19

> <JCHEM_ATOM_COUNT>
125

> <JCHEM_AVERAGE_POLARIZABILITY>
87.56483129952528

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-{[3,4,5-tris(2-hydroxypropoxy)-6-{[4,5,6-tris(2-hydroxypropoxy)-2-[(2-hydroxypropoxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methoxy}propan-2-ol

> <ALOGPS_LOGP>
-1.14

> <JCHEM_LOGP>
-1.746578733000001

> <ALOGPS_LOGS>
-2.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.308113148824738

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.949090142377614

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8628589158155773

> <JCHEM_POLAR_SURFACE_AREA>
263.36999999999995

> <JCHEM_REFRACTIVITY>
192.0351000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
28

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.85e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-{[3,4,5-tris(2-hydroxypropoxy)-6-{[4,5,6-tris(2-hydroxypropoxy)-2-[(2-hydroxypropoxy)methyl]oxan-3-yl]oxy}oxan-2-yl]methoxy}propan-2-ol

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB11602

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Hydroxyethyl cellulose

> <SYNONYMS>
2-Hydroxyethyl cellulose ether; Cellulose hydroxyethyl ether; Cellulose hydroxyethylate; hydroxyethylcellulose

> <PRODUCTS>
AOPAR Water Based Personal Lubricant; AnubisMed; ExEm Foam; Goojin Bio Serum; Gujin Bio Serum; Inner Cell Serum- Serum; Jenacell Supercell Serum; Odan-atropine; Optase Allegro; Phenylephrine/hydroxyethylcellulose; Rohto Hydra; UTIMI Water Based Personal Lubricant; WeDol Water-based personal lubricant

> <INTERNATIONAL_BRANDS>
Cellosize

> <SALTS>
Hydroxyethyl cellulose (100 MPa.s at 2%); Hydroxyethyl cellulose (140 MPa.s at 5%); Hydroxyethyl cellulose (1500 MPa.s at 1%); Hydroxyethyl cellulose (1800 MPa.s at 2%); Hydroxyethyl cellulose (2000 MPa.s at 1%); Hydroxyethyl cellulose (280 MPa.s at 2%); Hydroxyethyl cellulose (280 MPa.s at 5%); Hydroxyethyl cellulose (3000 MPa.s at 1%); Hydroxyethyl cellulose (40 MPa.s at 2%); Hydroxyethyl cellulose (4000 MPa.s at 1%); Hydroxyethyl cellulose (5000 MPa.s at 1%); Hydroxyethyl cellulose (5500 MPa.s at 2%); Hydroxyethyl cellulose (6500 MPa.s at 2%)

$$$$