Chelist Moleculee
JRC CODE:JRC-000239
cas:55-98-1
einecs:200-250-2
smiles:C[S](=O)(=O)OCCCCO[S](C)(=O)=O
name:Busulfan
MW:246.302
formula:C6H14O6S2
InChi:
InChiKey:
SMARTS:
Other names
1,4-Butanediol, 1,4-dimethanesulfonate
1,4-Butanediol, dimethanesulfonate (8CI,9CI)
Methanesulfonic acid, tetramethylene ester (6CI)
1,4-Bis(methanesulfonoxy)butane
1,4-Bis(methanesulfonyloxy)butane
1,4-Butanediol dimesylate
1,4-Dibutanediol dimethanesulfonate
1,4-Dimethanesulfonoxybutane
1,4-Dimethylsulfonyloxybutane
2041CB
4-Methylsulfonyloxybutyl methanesulfonate
AN 33501
Busilvex
Busulfan
Busulfex
Busulphan
Butane-1,4-diyl bis(methanesulfonate)
CB 2041
Citosulfan
GT 2041
GT 41
Glyzophrol
Leucosulfan
Mablin
Mielevcin
Mielosan
Mielucin
Milecitan
Mileran
Misulban
Mitostan
Myeloleukon
Myelosan
Mylecytan
Myleran
Myran
NCI C01592
NSC 750
Sulfabutin
Sulphabutin
Tetramethylene bis[methanesulfonate]
X 149

Search by similarity
Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

JRC METABOLISM BIOACCUMULATION (94): JRC ADME - Human bioaccumulation potential and human and rat metabolic stability and metabolite identification (JRC Projects)
NICEATM ECVAM 3T3NRU CITOTOXICITY (72): Reference chemicals used in the NICEATM/ECVAM validation study of the Neutral Red Uptake (NRU) basal cytotoxicity assay (Method Validation)
NTP CYTOTOX (1353): Compound Cytotoxicity Profiling Using Quantitative High-Throughput Screening (International Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
ECVAMes_Positives List (723): ECVAM Ames Positives List: EURL ECVAM Genotoxicity and Carcinogenicity Database of Ames Positive Chemicals (JRC Projects)
TOXCAST PHASE II (535): US EPA ToxCast list - phase II (International Research Projects)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
FP6 ReProTect (133): Test chemicals used for the development of in vitro tests within the FP6 project .ReProTect (EU Research Projects)