EcoDrugPlus


Synonyms	(cyclo)-taurolidine Cyclo-taurolidine Taurolidine W-3100M
Status
Molecule Category	Free-form
ATC	B05CA05
UNII	8OBZ1M4V3V
EPA CompTox	DTXSID00173001

Synonyms

(cyclo)-taurolidine

Cyclo-taurolidine

Taurolidine

W-3100M

Status

Molecule Category

Free-form

ATC

B05CA05

UNII

8OBZ1M4V3V

EPA CompTox

DTXSID00173001


InChI Key	AJKIRUJIDFJUKJ-UHFFFAOYSA-N
Smiles	O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1
InChI	InChI=1S/C7H16N4O4S2/c12-16(13)3-1-10(5-8-16)7-11-2-4-17(14,15)9-6-11/h8-9H,1-7H2

InChI Key

AJKIRUJIDFJUKJ-UHFFFAOYSA-N

Smiles

O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1

InChI

InChI=1S/C7H16N4O4S2/c12-16(13)3-1-10(5-8-16)7-11-2-4-17(14,15)9-6-11/h8-9H,1-7H2

Property Name	Value
Molecular Formula	C7H16N4O4S2
Molecular Weight	284.36
AlogP	-2.67
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	98.82
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C7H16N4O4S2

Molecular Weight

284.36

AlogP

-2.67

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

98.82

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

17.0

Resources	Reference
ChEBI	135173
ChEMBL	CHEMBL2105420
DrugBank	DB12473
DrugCentral	2568
FDA SRS	8OBZ1M4V3V
PubChem	29566
SureChEMBL	SCHEMBL65313
ZINC	ZINC000019322537

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PubChem

SureChEMBL

ZINC

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...

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

Last update: Monday, 3 November 2025

TAUROLIDINE

Structure

Physicochemical Descriptors

Cross References