Basic information
- CAS
3458-22-8- Standard SMILES
CS(=O)(=O)OCCC[NH2+]CCCOS(C)(=O)=O.[Cl-]- InChIKey
YWCASUPWYFFUHE-UHFFFAOYSA-N- Molecular formula
- C8H20ClNO6S2
- Average molar mass
- 325.8 g/mol
- Monoisotopic mass
- 325.0420574
Overview
See also: Improsulfan Hydrochloride (preferred).
Names & identifiers
- Preferred name
- Unii-ghx2mnt176
- IUPAC
- bis(3-methylsulfonyloxypropyl)azanium chloride
- English name
- IPD
- Molecular formula
- C8H19NO6S2.ClH
- Molecular weight
- 325.832
Names & synonyms
UNII-GHX2MNT176NS001209223'3'-IMINOBIS-1-PROPANOL DIMETHANESULFONATE (ESTER) HYDROCHLORIDEYoshi864Yoshi 864NSC102627Yoshi-864Improsulfan HClIPD HydrochlorideImprosulfan hydrochlorideBis(3-mesyloxypropyl)amine hydrochloride
Database identifiers
- CAS
3458-22-8- PubChem CID
- 18948
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 94 · 94-95°
- Toxicology and Carcinogenesis
- 3 · Bioassay of 3,3'-Iminobis-1-propanol Dimethanesulfonate (Ester) Hydrochloride (IPD) for Possible Carcinogenicity (CASRN 3458-22-8)
- FDA UNII
- 2 MNT176 · GHX2MNT176
- Hazardous Substances Data
- 3458 · 3458-22-8(Hazardous Substances Data)
- Toxicity
- 50 i.v · LD50 i.v. in rats: 75 mg/kg (Brock, Kuhlmann)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 i.v. in rats: 75 mg/kg (Brock, Kuhlmann)
- Hazardous Substances Data
- 3458-22-8(Hazardous Substances Data)
Chemistry & industry
Applications
UsesYoshi-864 (NSC-102627) is an alkylsulfonate DNA crosslinker with anticancer activity. Yoshi-864 extends markedly the survival times of mice bearing L1210 leukemia or Ehrlich ascites carcinoma. Yoshi-864 also has a persistent reduction in ability to synthesize DNA in tumor cells from mice bearing the Ehrlich tumor[1].
Suppliers5 total
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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