EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	BH8H7M66H3
EPA CompTox	DTXSID4065074

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

BH8H7M66H3

EPA CompTox

DTXSID4065074


InChI Key	MWFOVBOCPFXQMF-UHFFFAOYSA-L
Smiles	Cl[Sn](O[Sn](Cl)(CCCC)CCCC)(CCCC)CCCC
InChI	InChI=1/4C4H9.2ClH.O.2Sn/c41-3-4-2;;;;;/h41,3-4H2,2H3;21H;;;/q;;;;;;;2+1/p-2/rC16H36Cl2OSn2/c1-5-9-13-20(17,14-10-6-2)19-21(18,15-11-7-3)16-12-8-4/h5-16H2,1-4H3

InChI Key

MWFOVBOCPFXQMF-UHFFFAOYSA-L

Smiles

Cl[Sn](O[Sn](Cl)(CCCC)CCCC)(CCCC)CCCC

InChI

InChI=1/4C4H9.2ClH.O.2Sn/c4*1-3-4-2;;;;;/h4*1,3-4H2,2H3;2*1H;;;/q;;;;;;;2*+1/p-2/rC16H36Cl2OSn2/c1-5-9-13-20(17,14-10-6-2)19-21(18,15-11-7-3)16-12-8-4/h5-16H2,1-4H3

Property Name	Value
Molecular Formula	C16H36Cl2OSn2
Molecular Weight	554.02
AlogP	7.57
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	14.0
Polar Surface Area	9.23
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C16H36Cl2OSn2

Molecular Weight

554.02

AlogP

7.57

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

14.0

Polar Surface Area

9.23

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	10428-19-0
NORMAN SUSDAT
FDA SRS	BH8H7M66H3
PubChem	16682755

Resources

Reference

CAS NUMBER

10428-19-0

NORMAN SUSDAT

FDA SRS

BH8H7M66H3

PubChem

16682755

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

1,1,3,3-TETRABUTYL-1,3-DICHLORODISTANNOXANE

Structure

Physicochemical Descriptors

Cross References