EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	581437HWX2

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

581437HWX2


InChI Key	OVYMWJFNQQOJBU-UHFFFAOYSA-N
Smiles	CCCCCCCC(=O)OCC(C)OC(=O)CCCCCCC
InChI	InChI=1S/C19H36O4/c1-4-6-8-10-12-14-18(20)22-16-17(3)23-19(21)15-13-11-9-7-5-2/h17H,4-16H2,1-3H3

InChI Key

OVYMWJFNQQOJBU-UHFFFAOYSA-N

Smiles

CCCCCCCC(=O)OCC(C)OC(=O)CCCCCCC

InChI

InChI=1S/C19H36O4/c1-4-6-8-10-12-14-18(20)22-16-17(3)23-19(21)15-13-11-9-7-5-2/h17H,4-16H2,1-3H3

Property Name	Value
Molecular Formula	C19H36O4
Molecular Weight	328.26
AlogP	5.18
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	15.0
Polar Surface Area	52.6
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C19H36O4

Molecular Weight

328.26

AlogP

5.18

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

15.0

Polar Surface Area

52.6

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	7384-98-7
NORMAN SUSDAT
FDA SRS	581437HWX2
PubChem	94339
ChemSpider	85141.0

Resources

Reference

CAS NUMBER

7384-98-7

NORMAN SUSDAT

FDA SRS

581437HWX2

PubChem

94339

ChemSpider

85141.0

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

PROPYLENE GLYCOL DICAPRYLATE

Structure

Physicochemical Descriptors

Cross References