
IUPAC name
4-(methanesulfonyloxy)butyl methanesulfonate
SMILES
CS(=O)(=O)OCCCCOS(C)(=O)=O
Compound class
Antineoplastic Agents; Immunosuppressive Agents; Antineoplastic Agents, Alkylating; Alkylating Agents; Myeloablative Agonists; Antineoplastic and Immunomodulating Agents; Alkyl Sulfonates; CYP3A4 Inhibitors;
Therapeutic area
For use in combination with cyclophosphamide as a conditioning regimen prior to allogeneic hematopoietic progenitor cell transplantation for chronic myelogenous (myeloid, myelocytic, granulocytic) leukemia (FDA has designated busulfan as an orphan drug for this use). It is also used as a component of pretransplant conditioning regimens in patients undergoing bone marrow transplantation for acute myeloid leukemia and nonmalignant diseases.
Common name
Busulfan
IUPAC name
4-(methanesulfonyloxy)butyl methanesulfonate
SMILES
CS(=O)(=O)OCCCCOS(C)(=O)=O
INCHI
InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3
FORMULA
C6H14O6S2

Common name
Busulfan
IUPAC name
4-(methanesulfonyloxy)butyl methanesulfonate
Molecular weight
246.302
clogP
-0.608
clogS
-1.611
HBond Acceptor
6
HBond Donor
0
Total Polar Surface Area
86.74
Number of Rings
0
Rotatable Bond
7
Drug ID | Common name | Structure CAS | SMILE | Frequency |
---|---|---|---|---|
FDBF00007 | propane |
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C(C)C | 0.2412 |
FDBF00018 | propan-1-ol |
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C(O)CC | 0.0330 |
FDBF00041 | ethanol |
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CCO | 0.1474 |
FDBF00067 | butane |
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CCCC | 0.0680 |
FDBF00317 | (dihydroxy-λ3-sulfanyl)methane |
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C[S](O)O | 0.0141 |
FDBF01505 | methanesulfonic acid |
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CS(=O)(=O)O | 0.0038 |
FDBF02260 | methyl methanesulfonate |
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COS(=O)(=O)C | 0.0003 |
FDBF02261 | ethyl methanesulfonate |
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C(C)OS(=O)(=O)C | 0.0003 |
FDBF02262 | propyl methanesulfonate |
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C(CC)OS(=O)(=O)C | 0.0003 |
FDBF02263 | butane-1,4-diol |
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C(CCCO)O | 0.0003 |