EcoDrugPlus


Synonyms	DPE Dipivalyl epinephrine Dipivefrin Dipivefrine
Status
Molecule Category	Free-form
UNII	8Q1PVL543G
EPA CompTox	DTXSID1048544

Synonyms

DPE

Dipivalyl epinephrine

Dipivefrin

Dipivefrine

Status

Molecule Category

Free-form

UNII

8Q1PVL543G

EPA CompTox

DTXSID1048544


InChI Key	OCUJLLGVOUDECM-UHFFFAOYSA-N
Smiles	CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1
InChI	InChI=1S/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3

InChI Key

OCUJLLGVOUDECM-UHFFFAOYSA-N

Smiles

CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1

InChI

InChI=1S/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3

Property Name	Value
Molecular Formula	C19H29NO5
Molecular Weight	351.44
AlogP	2.84
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	84.86
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C19H29NO5

Molecular Weight

351.44

AlogP

2.84

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

84.86

Molecular species

BASE

Aromatic Rings

1.0

Heavy Atoms

25.0

Resources	Reference
ChEBI	4646
ChEMBL	CHEMBL1201262
DrugBank	DB00449
DrugCentral	922
FDA SRS	8Q1PVL543G
Human Metabolome Database	HMDB0014592
Guide to Pharmacology	7166
KEGG	C06963
PharmGKB	PA449364
PubChem	3105
SureChEMBL	SCHEMBL24713

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

HMDB0014592

Guide to Pharmacology

KEGG

PharmGKB

PubChem

SureChEMBL

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

DIPIVEFRIN

Structure

Physicochemical Descriptors

Cross References