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CHEBI:28901 - busulfan

Default Structure
ChEBI IDCHEBI:28901
ChEBI Namebusulfan
Stars
DefinitionA 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.
Secondary ChEBI IDsCHEBI:3225, CHEBI:18936
Last Modified22 February 2017
DownloadsMolfile
FormulaC6H14O6S2
Net Charge0
Average Mass246.306
Monoisotopic Mass246.02318
SMILESCS(=O)(=O)OCCCCOS(C)(=O)=O
InChIInChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3
InChIKeyCOVZYZSDYWQREU-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
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.
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
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.
Applications:
anticoagulant  An agent that prevents blood clotting.
anti-anaemic agent  A compound which increases either the number of red cells or the amount of haemoglobin in the blood.
antifibrotic agent  Any agent which acts to reduce fibrosis.
insect sterilant  A chemosterilant intended to sterilize insects.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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 anti-anaemic agent (CHEBI:75835)
busulfan (CHEBI:28901) has role anti-HIV agent (CHEBI:64946)
busulfan (CHEBI:28901) has role anticoagulant (CHEBI:50249)
busulfan (CHEBI:28901) has role antifibrotic agent (CHEBI:233423)
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  Source
busulfanWHO MedNet
busulfanWHO MedNet
busulfanoWHO MedNet
busulfanumWHO MedNet
Synonyms  Source
1,4-Bis(methanesulfonoxy)butaneChemIDplus
1,4-Butanediol dimethanesulfonateChemIDplus
1,4-DimesyloxybutaneChemIDplus
1,4-DimethanesulfonoxybutaneChemIDplus
BusulfanKEGG DRUG
MyelosanChEMBL
Brand Names  Source
BisulfexChEBI
Busulfan fresenius kabiChEMBL
LeucosulfanChEBI
MablinChEBI
MielucinChEBI
MisulbanChEBI
Manual XrefsDatabases
438DrugCentral
BusulfanWikipedia
C06862KEGG COMPOUND
D00248KEGG DRUG
DB01008DrugBank
LSM-5388LINCS
US2917432Patent
Registry NumbersSources
Reaxys:1791786Reaxys
CAS:55-98-1KEGG DRUG
CAS:55-98-1ChemIDplus
Citations