EcoDrugPlus


Synonyms	Fospropofol
Status
Molecule Category	Free-form
UNII	LZ257RZP7K

Synonyms

Fospropofol

Status

Molecule Category

Free-form

UNII

LZ257RZP7K


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	QVNNONOFASOXQV-UHFFFAOYSA-N
Smiles	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)

InChI Key

QVNNONOFASOXQV-UHFFFAOYSA-N

Smiles

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)

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

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

Resources	Reference
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

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

HMDB0015661

Guide to Pharmacology

PubChem

SureChEMBL

ZINC


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

FOSPROPOFOL

Structure

Physicochemical Descriptors

Cross References