EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7PWY8E5OAF
EPA CompTox	DTXSID00162778

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7PWY8E5OAF

EPA CompTox

DTXSID00162778


InChI Key	FFJWPXULECNYBC-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCC1=NC(CO)(CO)CO1
InChI	InChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-22(18-24,19-25)20-26-21/h24-25H,2-20H2,1H3

InChI Key

FFJWPXULECNYBC-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCC1=NC(CO)(CO)CO1

InChI

InChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-22(18-24,19-25)20-26-21/h24-25H,2-20H2,1H3

Property Name	Value
Molecular Formula	C22H43N1O3
Molecular Weight	369.32
AlogP	5.4
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	18.0
Polar Surface Area	62.05
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C22H43N1O3

Molecular Weight

369.32

AlogP

5.4

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

18.0

Polar Surface Area

62.05

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	14466-50-3
NORMAN SUSDAT
FDA SRS	7PWY8E5OAF
PubChem	72756
ChemSpider	65594.0

Resources

Reference

CAS NUMBER

14466-50-3

NORMAN SUSDAT

FDA SRS

7PWY8E5OAF

PubChem

72756

ChemSpider

65594.0

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

2-HEPTADECYL-4,4(5H)-OXAZOLEDIMETHANOL

Structure

Physicochemical Descriptors

Cross References