EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	54HY424479

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

54HY424479


InChI Key	GIMNAEMRNXUAQP-UHFFFAOYSA-N
Smiles	Cc1[nH]c(cn1)c2csc(N=C(N)N)n2
InChI	InChI=1S/C8H10N6S/c1-4-11-2-5(12-4)6-3-15-8(13-6)14-7(9)10/h2-3H,1H3,(H,11,12)(H4,9,10,13,14)

InChI Key

GIMNAEMRNXUAQP-UHFFFAOYSA-N

Smiles

Cc1[nH]c(cn1)c2csc(N=C(N)N)n2

InChI

InChI=1S/C8H10N6S/c1-4-11-2-5(12-4)6-3-15-8(13-6)14-7(9)10/h2-3H,1H3,(H,11,12)(H4,9,10,13,14)

Property Name	Value
Molecular Formula	C8H10N6S1
Molecular Weight	222.07
AlogP	1.15
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	2.0
Polar Surface Area	103.47
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C8H10N6S1

Molecular Weight

222.07

AlogP

1.15

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

2.0

Polar Surface Area

103.47

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	85604-00-8
NORMAN SUSDAT
FDA SRS	54HY424479

Resources

Reference

CAS NUMBER

85604-00-8

NORMAN SUSDAT

FDA SRS

54HY424479

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

ZALTIDINE

Structure

Physicochemical Descriptors

Cross References