busulfan   Click here for help

GtoPdb Ligand ID: 7136

Synonyms: Busulfex IV® | Myleran®
Approved drug
busulfan is an approved drug (FDA (1954), EMA (2003))
Compound class: Synthetic organic
Comment: Busulfan is a DNA alkylating agent. It has an immunosuppressive effect on bone marrow, especially inhibiting growth of granulocytes.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 103.5
Molecular weight 246.02
XLogP -1.23
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CS(=O)(=O)OCCCCOS(=O)(=O)C
Isomeric SMILES CS(=O)(=O)OCCCCOS(=O)(=O)C
InChI InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3
InChI Key COVZYZSDYWQREU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1954), EMA (2003))
IUPAC Name Click here for help
4-(methanesulfonyloxy)butyl methanesulfonate
International Nonproprietary Names Click here for help
INN number INN
564 busulfan
Synonyms Click here for help
Busulfex IV® | Myleran®
Database Links Click here for help
CAS Registry No. 55-98-1
ChEMBL Ligand CHEMBL820
DrugBank Ligand DB01008
DrugCentral Ligand 438
GtoPdb PubChem SID 178103712
PubChem CID 2478
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Wikipedia Busulfan