Synonyms:
Status: Approved (2008)
Entry Type: Small molecule
Molecule Category: Parent Prodrug
UNII: LZ257RZP7K

Structure

InChI Key QVNNONOFASOXQV-UHFFFAOYSA-N
Smile CC(C)c1cccc(C(C)C)c1OCOP(=O)(O)O
InChI
InChI=1S/C13H21O5P/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H21O5P
Molecular Weight 288.28
AlogP 3.38
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 75.99
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 19.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Coronary Disease 2 D003327 ClinicalTrials

Related Entries

UNKNOWN

Cross References

Resources Reference
CAS NUMBER 258516-89-1
ChEBI 135193
ChEMBL CHEMBL1201766
DrugBank DB06716
DrugCentral 3249
FDA SRS LZ257RZP7K
Human Metabolome Database HMDB0015661
Guide to Pharmacology 7475
PubChem 3038498
SureChEMBL SCHEMBL3821874
ZINC ZINC000002519740