Basic information
- Standard SMILES
O=S(=O)(O)CCCCOCCCCS(=O)(=O)O- InChIKey
NZAQRZWBQUIBSF-UHFFFAOYSA-N- Molecular formula
- C8H18O7S2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.04939492
Names & identifiers
- Preferred name
- 4,4'-Oxybis[1-butanesulfonic acid]
- IUPAC
- 4-(4-sulfobutoxy)butane-1-sulfonic acid
- English name
- 1-Butanesulfonic acid, 4,4'-oxybis-
- Molecular formula
- C8H18O7S2
- Molecular weight
- 290.35
Names & synonyms
61161-42-04,4'-Oxybis[1-butanesulfonic acid]4,4'-Oxybis(1-butanesulfonic acid)RefChem:284652sulfobutyl ether4,4'-Oxybis(butane-1-sulfonic acid)mono-sulfobutyl etherBis(4-sulfobutyl) etherT3ZT2U7XRFSCHEMBL37545Sulfobutylbetadex EP Impurity DNZAQRZWBQUIBSF-UHFFFAOYSA-N
Show more names
Busulfan Impurity 12Busulfan Impurity 8 Monomer
DTXSID4012973211-Butanesulfonic acid, 4,4'-oxydi-4,4'-Oxydi(butane-1-sulfonic acid)1-Butanesulfonic acid, 4,4'-oxybis-4,4'-oxydi(butane-1-sulfonic acid).4,4a(2)-Oxybis[1-butanesulfonic acid]SULFOBUTYLBETADEX SODIUM IMPURITY D [EP IMPURITY]
Database identifiers
- CAS
61161-42-0- PubChem CID
- 12856218
- DTXSID
DTXSID401297321- UNII
- T3ZT2U7XRF
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Density
- 1.423 · 1.423±0.06 g/cm3(Predicted)
- pka
- 1.47 · 1.47±0.50(Predicted)
- FDA UNII
- 3 ZT2U7XRF · T3ZT2U7XRF
Chemistry & industry
Suppliers6 total
怀化元研达生物技术有限责任公司18711085600 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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