Busulfan

CAS Number: 55-98-1

Molecular Mass: 246.3 g/mol

Formula: C₆H₁₄O₆S₂

Smiles: CS(=O)(=O)OCCCCOS(C)(=O)=O

Synonymes:

Busulfan, busulfan, 55-98-1, Myleran, Busulphan, Sulphabutin, Leucosulfan, Busulfex, Myelosan, Myeloleukon, Sulfabutin, Mablin, Mielucin, Misulban, Mitostan, Mylecytan, Mielevcin, Mielosan, Milecitan, Mileran, Myeleukon, 1,4-BUTANEDIOL DIMETHANESULFONATE, 1,4-Dimesyloxybutane, 1,4-Butanediol, dimethanesulfonate, Busulfano, Busulfanum, Myelosanum, 1,4-Dimethanesulfonoxybutane, Tetramethylene dimethane sulfonate, Busilvex, Mitosan, 1,4-Dimethylsulfonyloxybutane, NCI-C01592, 1,4-Bis(methanesulfonoxy)butane, 1,4-Butanediol dimethylsulfonate, NSC-750, 1,4-Bis(methanesulfonyloxy)butane, GT 41, Tetramethylene bis(methanesulfonate), 1,4-Butanediol dimethanesulphonate, CB 2041, Methanesulfonic acid, tetramethylene ester, NSC 750, Tetramethylenester kyseliny methansulfonove, C.B. 2041, Bisulfex, NSC750, DTXSID3020910, 4-(methanesulfonyloxy)butyl methanesulfonate, Tetramethylene bis[methanesulfonate], G1LN9045DK, 1,4-Bis[methanesulfonoxy]butane, CHEBI:28901, DTXCID10910, BUSULFAN FRESENIUS KABI, 4-04-00-00019 (Beilstein Handbook Reference), CB-2041, Bussulfam, Joacamine, Misulfan, 1,4-di(methanesulfonyloxy)butane, GT-41, RefChem:5626, Tetramethylenedimethanesulfonate, 1,4-di(methylsulfonyloxy)butane, L01AB01, 1, 4-Bis(methanesulfonoxy)butane, methanesulfonic acid tetramethylene ester, 1,4-Bitanediol Dimethanesulfonate Esters, WR-19508, 200-250-2, Glyzophrol, Wellcome, Busulfan, Citosulfan, Buzulfan, butane-1,4-diyl dimethanesulfonate, Busulphane, 1,4-Dimethanesulfonyloxybutane, 4-methylsulfonyloxybutyl methanesulfonate, 1,4-Dimethylsulfonoxybutane, AN 33501, 1,4-Dimethanesulphonyloxybutane, X 149, GT 2041, 1,4-Butanediol, dimethanesulphonate, MFCD00007562, 2041 C. B., G.T. 41, s1692, NCGC00090905-06, Busulfanum [INN-Latin], Busulfano [INN-Spanish], Methanesulfonic, CAS-55-98-1, CCRIS 418, Busulfan, Butane-1,4-diyl di(methanesulfonate), SR-01000765405, EINECS 200-250-2, BRN 1791786, UNII-G1LN9045DK, AI3-25012, Busulfan/Myleran, Busulfex IV, Busulfan [USP:INN:BAN:JAN], Busulfan CRS, HSDB 7605, Tetramethylenester kyseliny methansulfonove [Czech], Prestwick_989, Tetramethylene {bis[methanesulfonate]}, 1,4-Butanediol-dimethanesulfonate Esters, Spectrum_000092, BUSULFAN [HSDB], BUSULFAN [IARC], BUSULFAN [INN], BUSULFAN [JAN], 2041 C.B., BUSULFAN [MI], BUSULFAN [VANDF], Spectrum2_000067, Spectrum3_000320, Spectrum4_000259, Spectrum5_000928, BUSULFAN [MART.], BUSULFAN [WHO-DD], BUSULFAN [WHO-IP], CHEMBL820, NCIMech_000192, SCHEMBL4373, BUSULFAN [EMA EPAR], MYELOSANUM [WHO-IP], WLN: WS1&O4OSW1, BSPBio_001920, KBioGR_000698, KBioSS_000512, MLS001076666, Busulfan (Myleran, Busulfex), DivK1c_000847, SPECTRUM1500152, Busulfan (JP18/USP/INN), SPBio_000253, BUSULFAN [EP IMPURITY], BUSULFAN [ORANGE BOOK], GTPL7136, orb1310165, orb3141182, BUSULFAN [EP MONOGRAPH], BUSULFAN [USP MONOGRAPH], COVZYZSDYWQREU-UHFFFAOYSA-, HMS502K09, KBio1_000847, KBio2_000512, KBio2_003080, KBio2_005648, KBio3_001420, butane-1,4-diyldimethanesulfonate, BUSULFANUM [WHO-IP LATIN], NINDS_000847, GLXC-07732, HMS1920I07, HMS2091O09, HMS2233H04, HMS3259G15, HMS3370E11, HMS3655A21, HMS3712A20, HMS5079P12, Pharmakon1600-01500152, HY-B0245, MSK10327, Tox21_111038, Tox21_201848, Tox21_300318, 1, {4-Bis[methanesulfonoxy]butane}, 2041CB, AC-198, BDBM50237623, CCG-35458, EBC-03587, NSC755916, AKOS003614975, Tox21_111038_1, DB01008, FB19365, KS-5212, NC00498, NSC-755916, IDI1_000847, NCGC00090905-01, NCGC00090905-02, NCGC00090905-03, NCGC00090905-04, NCGC00090905-05, NCGC00090905-07, NCGC00090905-08, NCGC00090905-09, NCGC00090905-10, NCGC00090905-11, NCGC00090905-12, NCGC00254038-01, NCGC00259397-01, 4-(methylsulfonyloxy)butyl methylsulfonate, NCI60_041640, SMR000058613, SY029743, TETRAMETHYLENE DI(METHANESULFONATE), SBI-0051300.P003, B1022, NS00010142, ST45022142, SW198555-3, C06862, D00248, D88731, EN300-118686, 4-[(Methylsulfonyl)oxy]butyl methanesulfonate #, AB00051929-10, AB00051929-11, AB00051929_12, AB00051929_14, Busulfan, analytical standard, for drug analysis, F001734, Q348922, SR-01000765405-2, SR-01000765405-3, SR-01000765405-7, BRD-K23204545-001-15-6, BRD-K23204545-001-16-4, BRD-K23204545-001-18-0, Busulfan Working Standard (Secondary Reference Standard), Busulfan, European Pharmacopoeia (EP) Reference Standard, Z276508890, InChI=1/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Butanol	278.15	-	0.0186	[132]
1-Butanol	283.15	-	0.0296	[132]
1-Butanol	288.15	-	0.04649	[132]
1-Butanol	293.15	-	0.07156	[132]
1-Butanol	298.15	-	0.113	[132]
1-Butanol	303.15	-	0.1692	[132]
1-Butanol	308.15	-	0.2454	[132]
1-Butanol	313.15	-	0.3553	[132]
1-Butanol	318.15	-	0.5029	[132]
1-Butanol	323.15	-	0.721	[132]
1-Propanol	278.15	-	0.015	[132]
1-Propanol	283.15	-	0.027	[132]
1-Propanol	288.15	-	0.04733	[132]
1-Propanol	293.15	-	0.079	[132]
1-Propanol	298.15	-	0.1327	[132]
1-Propanol	303.15	-	0.2178	[132]
1-Propanol	308.15	-	0.3471	[132]
1-Propanol	313.15	-	0.5584	[132]
1-Propanol	318.15	-	0.8885	[132]
1-Propanol	323.15	-	1.419	[132]
2-Butoxyethanol	278.15	-	0.3067	[132]
2-Butoxyethanol	283.15	-	0.3943	[132]
2-Butoxyethanol	288.15	-	0.4929	[132]
2-Butoxyethanol	293.15	-	0.6227	[132]
2-Butoxyethanol	298.15	-	0.7793	[132]
2-Butoxyethanol	303.15	-	0.9709	[132]
2-Butoxyethanol	308.15	-	1.222	[132]
2-Butoxyethanol	313.15	-	1.494	[132]
2-Butoxyethanol	318.15	-	1.871	[132]
2-Butoxyethanol	323.15	-	2.266	[132]
2-Methoxyethanol	278.15	-	1.413	[132]
2-Methoxyethanol	283.15	-	2.131	[132]
2-Methoxyethanol	288.15	-	3.268	[132]
2-Methoxyethanol	293.15	-	4.66	[132]
2-Methoxyethanol	298.15	-	6.85	[132]
2-Methoxyethanol	303.15	-	9.634	[132]
2-Methoxyethanol	308.15	-	13.56	[132]
2-Methoxyethanol	313.15	-	18.75	[132]
2-Methoxyethanol	318.15	-	26.18	[132]
2-Methoxyethanol	323.15	-	36.09	[132]
Butyl acetate	278.15	-	0.3966	[132]
Butyl acetate	283.15	-	0.5455	[132]
Butyl acetate	288.15	-	0.7548	[132]
Butyl acetate	293.15	-	1.026	[132]
Butyl acetate	298.15	-	1.459	[132]
Butyl acetate	303.15	-	1.778	[132]
Butyl acetate	308.15	-	2.241	[132]
Butyl acetate	313.15	-	3.2	[132]
Butyl acetate	318.15	-	3.968	[132]
Butyl acetate	323.15	-	5.082	[132]
Dimethyl sulfoxide	298.15	-	131.7	[132]
Dimethyl sulfoxide	303.15	-	165.4	[132]
Dimethyl sulfoxide	308.15	-	205.8	[132]
Dimethyl sulfoxide	313.15	-	254.5	[132]
Dimethyl sulfoxide	318.15	-	315.4	[132]
Dimethyl sulfoxide	323.15	-	389.6	[132]
Dimethylformamide	278.15	-	38.13	[132]
Dimethylformamide	283.15	-	49.45	[132]
Dimethylformamide	288.15	-	63.74	[132]
Dimethylformamide	293.15	-	81.27	[132]
Dimethylformamide	298.15	-	104.3	[132]
Dimethylformamide	303.15	-	130.7	[132]
Dimethylformamide	308.15	-	164.0	[132]
Dimethylformamide	313.15	-	203.9	[132]
Dimethylformamide	318.15	-	256.4	[132]
Dimethylformamide	323.15	-	317.6	[132]
Ethanol	278.15	-	0.06651	[132]
Ethanol	283.15	-	0.1062	[132]
Ethanol	288.15	-	0.1675	[132]
Ethanol	293.15	-	0.2567	[132]
Ethanol	298.15	-	0.3922	[132]
Ethanol	303.15	-	0.5942	[132]
Ethanol	308.15	-	0.876	[132]
Ethanol	313.15	-	1.301	[132]
Ethanol	318.15	-	1.89	[132]
Ethanol	323.15	-	2.673	[132]
Ethyl acetate	278.15	-	0.9889	[132]
Ethyl acetate	283.15	-	1.468	[132]
Ethyl acetate	288.15	-	2.05	[132]
Ethyl acetate	293.15	-	2.817	[132]
Ethyl acetate	298.15	-	4.017	[132]
Ethyl acetate	303.15	-	5.201	[132]
Ethyl acetate	308.15	-	7.108	[132]
Ethyl acetate	313.15	-	9.347	[132]
Ethyl acetate	318.15	-	12.83	[132]
Ethyl acetate	323.15	-	17.13	[132]
Glycol monoethyl ether	278.15	-	0.4296	[132]
Glycol monoethyl ether	283.15	-	0.6562	[132]
Glycol monoethyl ether	288.15	-	0.9952	[132]
Glycol monoethyl ether	293.15	-	1.493	[132]
Glycol monoethyl ether	298.15	-	2.169	[132]
Glycol monoethyl ether	303.15	-	3.226	[132]
Glycol monoethyl ether	308.15	-	4.499	[132]
Glycol monoethyl ether	313.15	-	6.471	[132]
Glycol monoethyl ether	318.15	-	9.122	[132]
Glycol monoethyl ether	323.15	-	12.67	[132]
Glycol monopropyl ether	278.15	-	0.3677	[132]
Glycol monopropyl ether	283.15	-	0.4818	[132]
Glycol monopropyl ether	288.15	-	0.6713	[132]
Glycol monopropyl ether	293.15	-	0.8588	[132]
Glycol monopropyl ether	298.15	-	1.14	[132]
Glycol monopropyl ether	303.15	-	1.481	[132]
Glycol monopropyl ether	308.15	-	1.925	[132]
Glycol monopropyl ether	313.15	-	2.489	[132]
Glycol monopropyl ether	318.15	-	3.265	[132]
Glycol monopropyl ether	323.15	-	4.11	[132]
Methanol	278.15	-	0.2674	[132]
Methanol	283.15	-	0.4288	[132]
Methanol	288.15	-	0.6539	[132]
Methanol	293.15	-	1.012	[132]
Methanol	298.15	-	1.518	[132]
Methanol	303.15	-	2.276	[132]
Methanol	308.15	-	3.316	[132]
Methanol	313.15	-	4.828	[132]
Methanol	318.15	-	7.004	[132]
Methanol	323.15	-	9.905	[132]
Methyl acetate	278.15	-	2.829	[132]
Methyl acetate	283.15	-	3.435	[132]
Methyl acetate	288.15	-	5.605	[132]
Methyl acetate	293.15	-	7.707	[132]
Methyl acetate	298.15	-	9.983	[132]
Methyl acetate	303.15	-	13.85	[132]
Methyl acetate	308.15	-	18.09	[132]
Methyl acetate	313.15	-	24.0	[132]
Methyl acetate	318.15	-	32.46	[132]
Methyl acetate	323.15	-	43.82	[132]
N-Methyl-2-pyrrolidone	278.15	-	45.58	[132]
N-Methyl-2-pyrrolidone	283.15	-	56.82	[132]
N-Methyl-2-pyrrolidone	288.15	-	70.41	[132]
N-Methyl-2-pyrrolidone	293.15	-	86.96	[132]
N-Methyl-2-pyrrolidone	298.15	-	106.8	[132]
N-Methyl-2-pyrrolidone	303.15	-	130.3	[132]
N-Methyl-2-pyrrolidone	308.15	-	158.7	[132]
N-Methyl-2-pyrrolidone	313.15	-	193.7	[132]
N-Methyl-2-pyrrolidone	318.15	-	234.3	[132]
N-Methyl-2-pyrrolidone	323.15	-	284.4	[132]
Propyl acetate	278.15	-	0.349	[132]
Propyl acetate	283.15	-	0.6467	[132]
Propyl acetate	288.15	-	1.009	[132]
Propyl acetate	293.15	-	1.391	[132]
Propyl acetate	298.15	-	2.148	[132]
Propyl acetate	303.15	-	2.895	[132]
Propyl acetate	308.15	-	4.113	[132]
Propyl acetate	313.15	-	5.7	[132]
Propyl acetate	318.15	-	8.034	[132]
Propyl acetate	323.15	-	11.01	[132]

Molecule 3D descriptors

Descriptor	Value
PMI1	479.0250
PMI2	2407.3294
PMI3	2618.4845
NPR1	0.1829
NPR2	0.9194
RadiusOfGyration	3.3429
InertialShapeFactor	0.0019
Eccentricity	0.9831
Asphericity	0.5505
SpherocityIndex	0.2257
PBF	0.7900