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Piposulfan

CAT: 0013-GTR19196723-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196723-02Size:50 mg
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Description
Piposulfan is a water-insoluble alkylating agent with antineoplastic properties. It is utilized in research for studying its cytotoxic effects in both in vitro cell culture models and in vivo tumor studies to investigate potential anti-tumor mechanisms.
CAS Number
2608-24-4
Field of Research
Cell Biology, Molecular Biology, Pharmacology & Drug Discovery
Smiles
C (CCOS (C) (=O) =O) (=O) N1CCN (C (CCOS (C) (=O) =O) =O) CC1
Molecular Formula
C12H22N2O8S2
Molecular Weight
386.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Piposulfan

Piposulfan is a methanesulfonate ester and a N-acylpiperazine.

CAS Number2608-24-4
PubChem CID17458
IUPAC Name[3-[4-(3-methylsulfonyloxypropanoyl)piperazin-1-yl]-3-oxopropyl] methanesulfonate
Molecular FormulaC12H22N2O8S2
Molecular Weight386.4
XLogP-2.3
Topological Polar Surface Area144
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity582
SMILES
CS(=O)(=O)OCCC(=O)N1CCN(CC1)C(=O)CCOS(=O)(=O)C
InChI
InChI=1S/C12H22N2O8S2/c1-23(17,18)21-9-3-11(15)13-5-7-14(8-6-13)12(16)4-10-22-24(2,19)20/h3-10H2,1-2H3
InChIKey
NUKCGLDCWQXYOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Piposulfan
CAS: 2608-24-4
CID: 17458
Formula: C12H22N2O8S2
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP3-2.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass386.08175801
Monoisotopic Mass386.08175801
Topological Polar Surface Area144 Ų
Heavy Atom Count24
Formal Charge0
Complexity582
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T28418-01Piposulfan

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