CHEBI:28901 - busulfan

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name busulfan
ChEBI ID CHEBI:28901
Definition A methanesulfonate ester that is butane-1,4-diol in which the hydrogens of the hydroxy groups are replaced by methanesulfonyl groups. An alkylating antineoplastic agent, it is used for the treatment of chronic myeloid leukemia (although it has been largely replaced by newer drugs). It is also used as an insect sterilant.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3225, CHEBI:18936
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Formula C6H14O6S2
Net Charge 0
Average Mass 246.30200
Monoisotopic Mass 246.023
InChI InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3
InChIKey COVZYZSDYWQREU-UHFFFAOYSA-N
SMILES CS(=O)(=O)OCCCCOS(C)(=O)=O
Roles Classification
Biological Role(s): teratogenic agent
A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect.
carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
alkylating agent
Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases.
Application(s): insect sterilant
A chemosterilant intended to sterilize insects.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing busulfan (CHEBI:28901) has functional parent butane-1,4-diol (CHEBI:41189)
busulfan (CHEBI:28901) has role alkylating agent (CHEBI:22333)
busulfan (CHEBI:28901) has role antineoplastic agent (CHEBI:35610)
busulfan (CHEBI:28901) has role carcinogenic agent (CHEBI:50903)
busulfan (CHEBI:28901) has role insect sterilant (CHEBI:67105)
busulfan (CHEBI:28901) has role teratogenic agent (CHEBI:50905)
busulfan (CHEBI:28901) is a methanesulfonate ester (CHEBI:25223)
IUPAC Name
butane-1,4-diyl dimethanesulfonate
INNs Sources
busulfan WHO MedNet
busulfan WHO MedNet
busulfano WHO MedNet
busulfanum WHO MedNet
Synonyms Sources
1,4-Bis(methanesulfonoxy)butane ChemIDplus
1,4-Butanediol dimethanesulfonate ChemIDplus
1,4-Dimesyloxybutane ChemIDplus
1,4-Dimethanesulfonoxybutane ChemIDplus
Busulfan KEGG DRUG
Tetramethylene bis(methanesulfonate) ChemIDplus
Brand Names Sources
Bisulfex ChEBI
Leucosulfan ChEBI
Mablin ChEBI
Mielucin ChEBI
Misulban ChEBI
Mitostan ChEBI
Myeloleukon ChEBI
Myleran KEGG DRUG
Manual Xrefs Databases
438 DrugCentral
Busulfan Wikipedia
C06862 KEGG COMPOUND
D00248 KEGG DRUG
DB01008 DrugBank
LSM-5388 LINCS
US2917432 Patent
View more database links
Registry Numbers Types Sources
1791786 Beilstein Registry Number Beilstein
1791786 Reaxys Registry Number Reaxys
55-98-1 CAS Registry Number ChemIDplus
55-98-1 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
10523796 PubMed citation Europe PMC
19361744 PubMed citation Europe PMC
19611402 PubMed citation Europe PMC
Last Modified
22 February 2017