EcoDrugPlus


Synonyms	SR 41319 SR-41319 Skelid Tiludronate Tiludronic Acid Tiludronic acid
Status
Molecule Category	Free-form
ATC	M05BA05
UNII	6PNS59HP4Y
EPA CompTox	DTXSID10237966

Synonyms

SR 41319

SR-41319

Skelid

Tiludronate

Tiludronic Acid

Tiludronic acid

Status

Molecule Category

Free-form

ATC

M05BA05

UNII

6PNS59HP4Y

EPA CompTox

DTXSID10237966


InChI Key	DKJJVAGXPKPDRL-UHFFFAOYSA-N
Smiles	O=P(O)(O)C(Sc1ccc(Cl)cc1)P(=O)(O)O
InChI	InChI=1S/C7H9ClO6P2S/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14/h1-4,7H,(H2,9,10,11)(H2,12,13,14)

InChI Key

DKJJVAGXPKPDRL-UHFFFAOYSA-N

Smiles

O=P(O)(O)C(Sc1ccc(Cl)cc1)P(=O)(O)O

InChI

InChI=1S/C7H9ClO6P2S/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14/h1-4,7H,(H2,9,10,11)(H2,12,13,14)

Property Name	Value
Molecular Formula	C7H9ClO6P2S
Molecular Weight	318.61
AlogP	2.07
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	115.06
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C7H9ClO6P2S

Molecular Weight

318.61

AlogP

2.07

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

115.06

Molecular species

ACID

Aromatic Rings

1.0

Heavy Atoms

17.0

Resources	Reference
ChEBI	9598
ChEMBL	CHEMBL1350
DrugBank	DB01133
DrugCentral	2666
FDA SRS	6PNS59HP4Y
Human Metabolome Database	HMDB0015265
Guide to Pharmacology	7604
KEGG	C08141
PharmGKB	PA451688
PubChem	60937
SureChEMBL	SCHEMBL18988
ZINC	ZINC000001531010

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

HMDB0015265

Guide to Pharmacology

KEGG

PharmGKB

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

TILUDRONIC ACID

Structure

Physicochemical Descriptors

Cross References