Busulfan-d8

CAT: 0024-sc-217804Size: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-217804Size:2.5 mg

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CAS Number

116653-28-2

Chemical Information

(~2~H_8_)Butane-1,4-diyl dimethanesulfonate

CAS Number	116653-28-2
PubChem CID	45038480
IUPAC Name	(1,1,2,2,3,3,4,4-octadeuterio-4-methylsulfonyloxybutyl) methanesulfonate
Molecular Formula	C6H14O6S2
Molecular Weight	254.4
XLogP	-0.5
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	14
Formal Charge	0
Complexity	293

SMILES

[2H]C([2H])(C([2H])([2H])C([2H])([2H])OS(=O)(=O)C)C([2H])([2H])OS(=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/i3D2,4D2,5D2,6D2

InChIKey

COVZYZSDYWQREU-SQUIKQQTSA-N

Chemical Structure

2D Structure

CAS: 116653-28-2

CID: 45038480

Formula: C6H14O6S2

MW: 254.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	254.4
XLogP3	-0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	254.07339448
Monoisotopic Mass	254.07339448
Topological Polar Surface Area	104 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	293
Isotope Atom Count	8
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-204658	Busulfan
sc-207302	Aripiprazole-d8 (Butyl-d8)
sc-495727	Gleevec-d8 Mesylate (Imatinib-d8 Mesylate)
sc-507219	Lymecycline-d8
sc-258230A	Tetrahydrofuran-d8
sc-258230	Tetrahydrofuran-d8
sc-500494	Ulifloxacin-d8
sc-489394	Lomitapide-d8
sc-217944	Clozapine-d8
sc-364138	Simocyclinone D8

Catalog	Name
AR-B02313-01	Busulfan-d8
MBS6069466-01	Busulfan-d8 (1,4-Butanediol-d8-dimethanesulfonate Esters, Busulphan-d8, CB-2041-d8, GT-41-d8, Busulfex-d8, Misulban-d8, Myleran-d8)
A8386-1000	Busulfan