fospropofol   

GtoPdb Ligand ID: 7475

Synonyms: Lusedra®
fospropofol is an approved drug (FDA (2008))
Compound class: Synthetic organic
Comment: Fospropofol is a prodrug which undergoes hepatic conversion to the active moeity, propofol.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 85.8
Molecular weight 288.11
XLogP 2.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(c1cccc(c1OCOP(=O)(O)O)C(C)C)C
Isomeric SMILES CC(c1cccc(c1OCOP(=O)(O)O)C(C)C)C
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)
InChI Key QVNNONOFASOXQV-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2008))
Is prodrug? Yes
Active form propofol
IUPAC Name
[2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate
International Nonproprietary Names
INN number INN
8696 fospropofol
Synonyms
Lusedra®
Database Links
CAS Registry No. 258516-89-1 (source: Scifinder)
ChEMBL Ligand CHEMBL1201766
DrugCentral Ligand 3249
GtoPdb PubChem SID 187051778
PubChem CID 3038498
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Wikipedia Fospropofol