EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	HQ5TZ3NAEI
EPA CompTox	DTXSID0029630

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

HQ5TZ3NAEI

EPA CompTox

DTXSID0029630


InChI Key	UQLDLKMNUJERMK-UHFFFAOYSA-L
Smiles	[Pb+2].[O-]C(=O)CCCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCCC
InChI	InChI=1/2C18H36O2.Pb.2H/c21-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h22-17H2,1H3,(H,19,20);;;/q;;+4;;/p-2/r2C18H36O2.H2Pb/c21-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h22-17H2,1H3,(H,19,20);1H2/q;;+4/p-2

InChI Key

UQLDLKMNUJERMK-UHFFFAOYSA-L

Smiles

[Pb+2].[O-]C(=O)CCCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1/2C18H36O2.Pb.2H/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h2*2-17H2,1H3,(H,19,20);;;/q;;+4;;/p-2/r2C18H36O2.H2Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);1H2/q;;+4/p-2

Property Name	Value
Molecular Formula	C36H70O4Pb
Molecular Weight	776.52
AlogP	9.08
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	32.0
Polar Surface Area	80.26
Heavy Atoms	41.0

Property Name

Value

Molecular Formula

C36H70O4Pb

Molecular Weight

776.52

AlogP

9.08

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

32.0

Polar Surface Area

80.26

Heavy Atoms

41.0

Resources	Reference
CAS NUMBER	1072-35-1
NORMAN SUSDAT
FDA SRS	HQ5TZ3NAEI

Resources

Reference

CAS NUMBER

1072-35-1

NORMAN SUSDAT

FDA SRS

HQ5TZ3NAEI

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

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