EcoDrugPlus


Keyword(s):	Human Neurotoxin
Molecule Category	Salt-form
UNII	8AQ60474G9
EPA CompTox	DTXSID7046966

Keyword(s):

Human Neurotoxin

Molecule Category

Salt-form

UNII

8AQ60474G9

EPA CompTox

DTXSID7046966


InChI Key	NBJGGHFXCGHTNJ-UHFFFAOYSA-N
Smiles	OS(O)(=O)=O.OS(O)(=O)=O.NC(=N)NCCN1CCCCCCC1
InChI	InChI=1S/C10H22N4.2H2O4S/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14;21-5(2,3)4/h1-9H2,(H4,11,12,13);2(H2,1,2,3,4)

InChI Key

NBJGGHFXCGHTNJ-UHFFFAOYSA-N

Smiles

OS(O)(=O)=O.OS(O)(=O)=O.NC(=N)NCCN1CCCCCCC1

InChI

InChI=1S/C10H22N4.2H2O4S/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14;2*1-5(2,3)4/h1-9H2,(H4,11,12,13);2*(H2,1,2,3,4)

Property Name	Value
Molecular Formula	C10H26N4O8S2
Molecular Weight	394.12
AlogP	-0.57
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	7.0
Number of Rotational Bond	3.0
Polar Surface Area	214.34
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C10H26N4O8S2

Molecular Weight

394.12

AlogP

-0.57

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

7.0

Number of Rotational Bond

3.0

Polar Surface Area

214.34

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	60-02-6
NORMAN SUSDAT
FDA SRS	8AQ60474G9
PubChem	65328
ChemSpider	58812.0

Resources

Reference

CAS NUMBER

60-02-6

NORMAN SUSDAT

FDA SRS

8AQ60474G9

PubChem

65328

ChemSpider

58812.0

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

GUANETHIDINE SULFATE

Structure

Physicochemical Descriptors

Cross References