EcoDrugPlus


Keyword(s):	Human Neurotoxin
Molecule Category	Salt-form
UNII	25S5I1P6O6
EPA CompTox	DTXSID80194799

Keyword(s):

Human Neurotoxin

Molecule Category

Salt-form

UNII

25S5I1P6O6

EPA CompTox

DTXSID80194799


InChI Key	GRLUHXSUZYFZCW-UHFFFAOYSA-N
Smiles	Cl.Cl.CC[Ge]1(CC)CCC2(CCN(CCCN(C)C)C2)CC1
InChI	InChI=1S/C17H36GeN2.2ClH/c1-5-18(6-2)11-8-17(9-12-18)10-15-20(16-17)14-7-13-19(3)4;;/h5-16H2,1-4H3;2*1H

InChI Key

GRLUHXSUZYFZCW-UHFFFAOYSA-N

Smiles

Cl.Cl.CC[Ge]1(CC)CCC2(CCN(CCCN(C)C)C2)CC1

InChI

InChI=1S/C17H36GeN2.2ClH/c1-5-18(6-2)11-8-17(9-12-18)10-15-20(16-17)14-7-13-19(3)4;;/h5-16H2,1-4H3;2*1H

Property Name	Value
Molecular Formula	C17H38Cl2GeN2
Molecular Weight	414.16
AlogP	4.76
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	6.48
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C17H38Cl2GeN2

Molecular Weight

414.16

AlogP

4.76

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

6.48

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	41992-22-7
NORMAN SUSDAT
FDA SRS	25S5I1P6O6

Resources

Reference

CAS NUMBER

41992-22-7

NORMAN SUSDAT

FDA SRS

25S5I1P6O6

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

SPIROGERMANIUM HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References