Mrv1718004201811552D          

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M  CHG  2   6   1  46  -1
M  END
> <DATABASE_ID>
DB11283

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3

> <INCHI_KEY>
CITHEXJVPOWHKC-UHFFFAOYSA-N

> <FORMULA>
C36H72NO8P

> <MOLECULAR_WEIGHT>
677.945

> <EXACT_MASS>
677.49955528

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
118

> <JCHEM_AVERAGE_POLARIZABILITY>
81.71731393197302

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2-{[2,3-bis(tetradecanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium

> <ALOGPS_LOGP>
4.57

> <JCHEM_LOGP>
6.3355217191949205

> <ALOGPS_LOGS>
-7.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8550572064469137

> <JCHEM_PKA_STRONGEST_BASIC>
-6.744159309169687

> <JCHEM_POLAR_SURFACE_AREA>
111.19000000000001

> <JCHEM_REFRACTIVITY>
197.46110000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
36

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.03e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2-{[2,3-bis(tetradecanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB11283

> <SECONDARY_ACCESSION_NUMBERS>
DBSALT001574

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
DL-dimyristoylphosphatidylcholine

> <SYNONYMS>
dimyristoyl phosphatidylcholine; dimyristoyl-phosphatidylcholine; Dimyristoylphosphatidylcholine; Dimyristoylphosphatidylcholine, DL-; DMPC; l-α-dimyristoylphosphatidylcholine

> <PRODUCTS>
Abelcet

$$$$