Cas no 299-75-2 (Treosulfan)

Treosulfan structure
Treosulfan structure
Product Name:Treosulfan
CAS No:299-75-2
MF:C6H14O8S2
MW:278.300560474396
MDL:MFCD02258964
CID:256855
PubChem ID:9882105
Update Time:2025-04-19

Treosulfan Chemical and Physical Properties

Names and Identifiers

    • 1,2,3,4-Butanetetrol,1,4-dimethanesulfonate, (2S,3S)-
    • (2S,3S)-Threitol 1,4-bismethanesulfonate
    • TREOSULFAN
    • Treosulphan
    • (2S,3S)-2,3-dihydroxybutane-1,4-diyl-dimethanesulfonate
    • Cb 40067
    • CB-2562
    • Dihydroxybusulfan
    • Dihydroxymyleran
    • L-Dihydroxy-Busulfan
    • Leo 40067
    • L-threitol 1,4-bis(methanesulfonate)
    • L-threitol 1,4-bismethane sulfonate
    • L-threitol-1,4-bic-methanesulfonate
    • THREOSULFAN
    • (2S,3S)-Butanetetraol 1,4-dimesylate
    • NSC 39069
    • Threosulphan
    • Treosulfanum [INN-Latin]
    • L-Threitol, 1,4-bismethanesulfonate
    • GRAFAPEX
    • TreosulphanNSC 39069
    • L-THREITOL 1,4-DIMETHANESULPHONATE
    • rel-(2S,3S)-2,3-Dihydroxybutane-1,4-diyl dimethanesulfonate
    • Treosulfan [USAN:INN:BAN]
    • 1,2,3,4-Butanetetrol, 1,4-dimethanesulfonate, (S-(R*,R*))-
    • WHO 3103
    • C19557
    • Threitol, 1,4-dimethanesulfonate, (2S,3S)-
    • Trecondi
    • EN300-1703341
    • CHEBI:82557
    • EINECS 206-081-0
    • (S)-3-BOC-AMINO-1-DIAZO-3-(4-BENZYLOXY)PHENYL-2-BUTANONE
    • Treosulfan (INN)
    • GRAFTREVO
    • TREOSULFAN [IARC]
    • HY-16503
    • HSDB 6963
    • CO61ER3EPI
    • l-Threitol-1,4-bis(methanesulfonate)
    • Ovastat
    • NSC 39069;Treosulphan
    • UNII-CO61ER3EPI
    • L-Threitol, 1,4-bis(methanesulfonate)
    • TREOGRAFT
    • AKOS030231132
    • TRECONDYV
    • CS-3889
    • Treosulfanum
    • SCHEMBL5399430
    • D07253
    • s6958
    • TREOSULFAN [MART.]
    • YCPOZVAOBBQLRI-WDSKDSINSA-N
    • l-threitol-1,4-bis-methanesulfonate
    • PS-12126
    • CCRIS 2781
    • (S-(R*,R*))-1,2,3,4-Butanetetrol, 1,4-dimethanesulfonate
    • CHEMBL455186
    • Treosulfano [INN-Spanish]
    • A912763
    • NSC-39069
    • [(2S,3S)-2,3-dihydroxy-4-methylsulfonyloxybutyl] methanesulfonate
    • Treosulfano
    • KEPCONDI
    • Threitol, 1,4-dimethanesulfonate, L-(+)-
    • 299-75-2
    • L-Threitol 1,4-dimethanesulfonate
    • (2S,3S)-2,3-dihydroxy-4-(methanesulfonyloxy)butyl methanesulfonate
    • TREOSULFAN [INN]
    • Ovastat (TN)
    • 21106-06-9
    • TREOSULFAN [HSDB]
    • TREOSULFAN [WHO-DD]
    • DB11678
    • TREOSULFAN [USAN]
    • DTXSID0026173
    • (2S,3S)-2,3-dihydroxybutane-1,4-diyl dimethanesulfonate
    • TREOSULFAN (MART.)
    • 1,2,3,4-Butanetetrol, 1,4-dimethanesulfonate, (S-(R*,R*))-(9CI)
    • L-threitol 1,4-bismethanesulphonate, Ovastat
    • Treosulfan [INN:BAN]
    • Treosulfan (USAN/INN)
    • DIHYDROXYBUSULPHAN
    • L-THREITOL DIMETHANESULPHONATE
    • 1,4-DIMETHANESULPHONATE-(L-THREITOL)
    • (2S,3S)-THREITOL 1,4-BISMETHANESULPHONATE
    • Treosulfanum (INN-Latin)
    • L01AB02
    • 1-Threitol-1,4-bis(methanesulfonate)
    • Tresulfon
    • TREOSULFAN (IARC)
    • (2,3-dihydroxy-4-methylsulfonyloxybutyl) methanesulfonate
    • Threitol, 1,4-dimethanesulfonate
    • (2S,3S)-TREITOL 1,4-DIMETHANESULFONATE
    • 1,2,3, 4-Butanetetrol, 1,4-dimethanesulfonate, [R-(R*,S*)]-
    • DTXCID106173
    • CB 2562
    • Treosulfano (INN-Spanish)
    • (+)THRIETOL 1,4-DIMETHANESULPHONATE
    • 1,4-DI-O-METHANESULFONYLBUTAN-1,2,3,4-TETROLE
    • 1,2,3, 4-Butanetetrol, 1,4-dimethanesulfonate, (R-(R*,S*))-
    • Threitol, 1,4-dimethanesulfonate (8CI)
    • (S-(R*,R*))-1,2,3,4-butanetetrol,1,4-dimethanesulfonate
    • L-dihydroxybusulfan
    • 1,4-BIS-O-METHANESULPHONYL-L-THREITOL
    • (2S,3S)-THREITOL 1,4-DIMETHANESULFONATE
    • DA-68314
    • TRESULPHAN
    • NSC39069
    • L-Threityl dimesylate
    • BRD-K20902145-001-01-2
    • Treosulfan
    • MDL: MFCD02258964
    • Inchi: 1S/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1
    • InChI Key: YCPOZVAOBBQLRI-WDSKDSINSA-N
    • SMILES: S(C)(=O)(=O)OC[C@@H]([C@H](COS(C)(=O)=O)O)O

Computed Properties

  • Exact Mass: 278.01300
  • Monoisotopic Mass: 278.013
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 7
  • Complexity: 345
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 144A^2
  • XLogP3: -2.2

Experimental Properties

  • Density: 1.305 (estimate)
  • Melting Point: 76 - 78 °C
  • Boiling Point: 359.3°C (rough estimate)
  • Flash Point: 320.9oC
  • Refractive Index: 1.5630 (estimate)
  • PSA: 143.96000
  • LogP: -0.17780
  • Optical Activity: [α]/D -4.9 to -5.9°, c =?1 in acetone

Treosulfan Security Information

  • Hazardous Material transportation number:UN 2811
  • HazardClass:6.1(b)
  • PackingGroup:III
  • Storage Condition:Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month
  • Packing Group:III
  • Hazard Level:6.1(b)

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