thiotepa   Click here for help

GtoPdb Ligand ID: 7622

Synonyms: Tepadina® | Thioplex®
Approved drug
thiotepa is an approved drug (FDA (1959), EMA (2010))
Compound class: Synthetic organic
Comment: Thiotepa is an organophosphorus DNA alkylating anti-cancer chemotherapeutic [1].
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2D Structure
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Physico-chemical Properties
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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
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Canonical SMILES S=P(N1CC1)(N1CC1)N1CC1
Isomeric SMILES S=P(N1CC1)(N1CC1)N1CC1
InChI InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1959), EMA (2010))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
881 thiotepa
Synonyms Click here for help
Tepadina® | Thioplex®
Database Links Click here for help
CAS Registry No. 52-24-4
DrugBank Ligand DB04572
DrugCentral Ligand 2638
GtoPdb PubChem SID 223365957
PubChem CID 5453
Search Google for chemical match using the InChIKey FOCVUCIESVLUNU-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey FOCVUCIESVLUNU-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FOCVUCIESVLUNU-UHFFFAOYSA-N
Wikipedia ThioTEPA