thiotepa

Ligand id: 7622

Name: thiotepa

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 50.93
Molecular weight 189.05
XLogP 0.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1959), EMA (2010))
IUPAC Name
tris(aziridin-1-yl)-sulfanylidenephosphorane
International Nonproprietary Names
INN number INN
881 thiotepa
Synonyms
Tepadina® | Thioplex®
Comments
Thiotepa is an organophosphorus DNA alkylating anti-cancer chemotherapeutic [1].
Database Links
CAS Registry No. 52-24-4
ChEMBL Ligand CHEMBL671
DrugBank Ligand DB04572
GtoPdb PubChem SID 223365957
PubChem CID 5453
Search Google for chemical match using the InChIKey FOCVUCIESVLUNU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FOCVUCIESVLUNU
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Search UniChem for chemical match using the InChIKey FOCVUCIESVLUNU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FOCVUCIESVLUNU
Wikipedia ThioTEPA