treosulfan   Click here for help

GtoPdb Ligand ID: 8281

Synonyms: Trecondi®
Approved drug
treosulfan is an approved drug (UK (1992), EMA (2019))
Compound class: Synthetic organic
Comment: Treosulfan is a DNA alkylating agent.
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: treosulfan

2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 143.96
Molecular weight 278.01
XLogP -3.29
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OC(C(COS(=O)(=O)C)O)COS(=O)(=O)C
Isomeric SMILES OC(C(COS(=O)(=O)C)O)COS(=O)(=O)C
InChI InChI=1S/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3
InChI Key YCPOZVAOBBQLRI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (UK (1992), EMA (2019))
IUPAC Name Click here for help
(2,3-dihydroxy-4-methylsulfonyloxybutyl) methanesulfonate
International Nonproprietary Names Click here for help
INN number INN
3103 treosulfan
Synonyms Click here for help
Trecondi®
Database Links Click here for help
CAS Registry No. 299-75-2
ChEMBL Ligand CHEMBL2358556
GtoPdb PubChem SID 252166493
PubChem CID 9296
Search Google for chemical match using the InChIKey YCPOZVAOBBQLRI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YCPOZVAOBBQLRI
Search PubMed clinical trials treosulfan
Search PubMed titles treosulfan
Search PubMed titles/abstracts treosulfan
Search UniChem for chemical match using the InChIKey YCPOZVAOBBQLRI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YCPOZVAOBBQLRI
Wikipedia Treosulfan