Basic information
- CAS
2608-24-4- Standard SMILES
CS(=O)(=O)OCCC(=O)N1CCN(C(=O)CCOS(C)(=O)=O)CC1- InChIKey
NUKCGLDCWQXYOQ-UHFFFAOYSA-N- Molecular formula
- C12H22N2O8S2
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.08175801
Overview
Piposulfan is a methanesulfonate ester and a N-acylpiperazine.
Names & identifiers
- Preferred name
- Piposulfan
- IUPAC
- [3-[4-(3-methylsulfonyloxypropanoyl)piperazin-1-yl]-3-oxopropyl] methanesulfonate
- English name
- Piposulfan
- Molecular formula
- C12H22N2O8S2
- Molecular weight
- 386.44
Names & synonyms
PIPOSULFAN2608-24-4AncytePiposulfanoPiposulfanumA-20968NSC-47774VY5DPN1TDUNSC47774A 20968DTXSID801807131,4-bis(3-((methylsulfonyl)oxy)-1-oxopropyl)piperazine
Show more names
1,4-Bis[3-[(methylsulfonyl)oxy]-1-oxopropyl]piperazine1-Propanone, 1,1'-(1,4-piperazinediyl)bis[3-[(methylsulfonyl)oxy]-[3-[4-(3-methylsulfonyloxypropanoyl)piperazin-1-yl]-3-oxo-propyl] methanesulfonatemethanesulfonic acid [3-keto-3-[4-(3-methylsulfonyloxypropanoyl)piperazin-1-yl]propyl] ester
RefChem:929339DTXCID201032041,4-Dihydracryloylpiperazine dimethanesulfonate (ester)A-20968; Ancyte[3-[4-(3-methylsulfonyloxypropanoyl)piperazin-1-yl]-3-oxopropyl] methanesulfonatePiperazine, 1,4-bis(3-((methylsulfonyl)oxy)-1-oxopropyl)-1,4-Dihydracryloylpiperazine, dimethanesulfonateN,N'-Bis(3-methanesulfonyloxypropionyl)piperazine
Database identifiers
- CAS
2608-24-4- PubChem CID
- 17458
- DTXSID
DTXSID80180713
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 582
Physicochemical properties
- Melting point
- 175 · 175-177°
- Boiling point
- 713.1 · 713.1±60.0 °C(Predicted)
- Density
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- pka
- -0.61 · -0.61±0.70(Predicted)
- FDA UNII
- 5 DPN1TDU · VY5DPN1TDU
Chemistry & industry
Applications
UsesAntineoplastic.
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Piposulfan is a N-acylpiperazine and a methanesulfonate ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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