EcoDrugPlus


Trade Names	RESCULA
Synonyms	Isopropyl unoprostone Rescula UF-021 Unoprostone Isopropyl Unoprostone isopropyl Unoprostone isopropyl ester
Status
Molecule Category	Free-form
UNII	5M161S5O5P
EPA CompTox	DTXSID5049071

Trade Names

RESCULA

Synonyms

Isopropyl unoprostone

Rescula

UF-021

Unoprostone Isopropyl

Unoprostone isopropyl

Unoprostone isopropyl ester

Status

Molecule Category

Free-form

UNII

5M161S5O5P

EPA CompTox

DTXSID5049071


InChI Key	XXUPXHKCPIKWLR-JHUOEJJVSA-N
Smiles	CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O
InChI	InChI=1S/C25H44O5/c1-4-5-6-7-10-13-20(26)16-17-22-21(23(27)18-24(22)28)14-11-8-9-12-15-25(29)30-19(2)3/h8,11,19,21-24,27-28H,4-7,9-10,12-18H2,1-3H3/b11-8-/t21-,22-,23+,24-/m1/s1

InChI Key

XXUPXHKCPIKWLR-JHUOEJJVSA-N

Smiles

CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O

InChI

InChI=1S/C25H44O5/c1-4-5-6-7-10-13-20(26)16-17-22-21(23(27)18-24(22)28)14-11-8-9-12-15-25(29)30-19(2)3/h8,11,19,21-24,27-28H,4-7,9-10,12-18H2,1-3H3/b11-8-/t21-,22-,23+,24-/m1/s1

Property Name	Value
Molecular Formula	C25H44O5
Molecular Weight	424.62
AlogP	5.12
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	16.0
Polar Surface Area	83.83
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C25H44O5

Molecular Weight

424.62

AlogP

5.12

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

16.0

Polar Surface Area

83.83

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

30.0

Resources	Reference
ChEBI	31731
ChEMBL	CHEMBL1200661
DrugCentral	2794
FDA SRS	5M161S5O5P
Guide to Pharmacology	8282
PubChem	5282175
SureChEMBL	SCHEMBL192726
ZINC	ZINC000014234780

Resources

Reference

ChEBI

ChEMBL

DrugCentral

FDA SRS

Guide to Pharmacology

PubChem

SureChEMBL

ZINC

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...

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Last update: Monday, 3 November 2025

UNOPROSTONE ISOPROPYL

Structure

Physicochemical Descriptors

Cross References