EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	34HJS55VCG
EPA CompTox	DTXSID9062562

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

34HJS55VCG

EPA CompTox

DTXSID9062562


InChI Key	WLPUWLXVBWGYMZ-UHFFFAOYSA-N
Smiles	C1CCC(CC1)P(C1CCCCC1)C1CCCCC1
InChI	InChI=1S/C18H33P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2

InChI Key

WLPUWLXVBWGYMZ-UHFFFAOYSA-N

Smiles

C1CCC(CC1)P(C1CCCCC1)C1CCCCC1

InChI

InChI=1S/C18H33P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2

Property Name	Value
Molecular Formula	C18H33P1
Molecular Weight	280.23
AlogP	6.47
Number of Rotational Bond	3.0
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C18H33P1

Molecular Weight

280.23

AlogP

6.47

Number of Rotational Bond

3.0

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	2622-14-2
NORMAN SUSDAT
FDA SRS	34HJS55VCG
PubChem	75806
ChemSpider	68315.0

Resources

Reference

CAS NUMBER

2622-14-2

NORMAN SUSDAT

FDA SRS

34HJS55VCG

PubChem

75806

ChemSpider

68315.0

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...

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

Last update: Monday, 3 November 2025

PHOSPHINE, TRICYCLOHEXYL-

Structure

Physicochemical Descriptors

Cross References