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Busulfan

CAT: 1596-AR-B02312-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B02312-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
55-98-1
Synonyms
Butane-1,4-diyl dimethanesulfonate; 1,4-Butanediol-dimethanesulfonate Esters; Busulphan; CB-2041; GT-41; Busulfex; Misulban; Myleran
Molecular Formula
C6H14O6S2
Molecular Weight
246.3
API Name
Busulfan

Chemical Information

Busulfan

1,4-Butanediol dimethanesulfonate (Busulfan) can cause cancer according to California Labor Code. It can cause developmental toxicity according to an independent committee of scientific and health experts.

CAS Number55-98-1
PubChem CID2478
IUPAC Name4-methylsulfonyloxybutyl methanesulfonate
Molecular FormulaC6H14O6S2
Molecular Weight246.3
XLogP-0.5
Topological Polar Surface Area104
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count14
Formal Charge0
Complexity293
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
InChIKey
COVZYZSDYWQREU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Busulfan
CAS: 55-98-1
CID: 2478
Formula: C6H14O6S2
MW: 246.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight246.3
XLogP3-0.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass246.02318051
Monoisotopic Mass246.02318051
Topological Polar Surface Area104 Ų
Heavy Atom Count14
Formal Charge0
Complexity293
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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